molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL273264 |
|
Ki |
= |
0.02 |
nM |
347.38 |
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 |
Homo sapiens |
CHEMBL3389935 |
single protein format |
CHEMBL3655686 |
OBDepict
NH
2
N
O
N
H
S
O
O
N
NH
2
HN
NH
2
|
Ki |
= |
0.069 |
nM |
553.73 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(C3CCC(N)=NC3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL3705096 |
single protein format |
CHEMBL3289302 |
OBDepict
NH
2
N
O
HN
H
S
O
O
N
H
2
N
NH
H
2
N
|
Ki |
= |
0.08 |
nM |
553.73 |
N=C(N)c1cccc(C[C@@H](NS(=O)(=O)c2cccc(C3CCC(N)=NC3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL469090 |
OBDepict
NH
2
N
O
HN
H
S
O
O
N
H
2
N
NH
H
2
N
|
Ki |
= |
0.08 |
nM |
553.73 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(C3CCC(N)=NC3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL2089123 |
OBDepict
NH
2
NH
HN
HN
H
O
N
S
O
N
H
H
3
C
H
O
H
2
N
H
O
NH
2
|
Ki |
= |
0.088 |
nM |
490.59 |
C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL2090833 |
cell-based format |
CHEMBL3352840 |
OBDepict
OH
H
2
N
H
N
H
O
H
HN
O
CH
3
H
O
NH
2
NH
O
H
O
N
S
NH
NH
H
2
N
|
Ki |
= |
0.092 |
nM |
577.67 |
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3378881 |
single protein format |
CHEMBL468270 |
OBDepict
NH
2
S
HN
O
O
H
N
O
NH
H
2
N
NH
2
|
Ki |
= |
1.0 |
nM |
528.72 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(CCCCN)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3219087 |
OBDepict
NH
2
N
O
HN
H
S
O
O
O
CH
3
O
CH
3
HN
NH
2
|
Ki |
= |
1.0 |
nM |
593.75 |
COc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(OC)c1 |
Homo sapiens |
CHEMBL3225088 |
single protein format |
CHEMBL3289038 |
OBDepict
O
O
H
O
O
H
NH
2
NH
H
2
N
NH
NH
2
|
Ki |
= |
1.0 |
nM |
487.56 |
N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)O[C@H]3CC[C@H](N)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL2089124 |
OBDepict
NH
2
NH
HN
HN
H
O
N
S
O
H
2
N
H
3
C
H
|
Ki |
= |
1.4 |
nM |
362.46 |
C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL2090833 |
cell-based format |
CHEMBL3951346 |
OBDepict
NH
2
NH
HN
HN
H
O
N
S
O
N
H
CH
3
H
O
CH
3
|
Ki |
= |
1.4 |
nM |
404.5 |
CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL3888636 |
single protein format |
CHEMBL379068 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
NH
NH
2
N
NH
2
H
2
N
|
Ki |
= |
1.5 |
nM |
599.76 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCN=C(N)N)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL461016 |
OBDepict
NH
2
N
O
HN
H
S
O
O
N
H
2
N
NH
H
2
N
|
Ki |
= |
1.6 |
nM |
549.7 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL378657 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
HN
NH
2
NH
HN
NH
2
|
Ki |
= |
1.8 |
nM |
585.74 |
N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL460810 |
OBDepict
H
2
N
N
O
N
H
S
O
O
CH
3
HN
NH
2
|
Ki |
= |
2.5 |
nM |
561.75 |
CCc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3289034 |
OBDepict
NH
2
NH
O
NH
O
O
H
H
NH
2
NH
H
2
N
|
Ki |
= |
3.0 |
nM |
486.58 |
N=C(N)c1ccc(Oc2cc(NC(=O)[C@H]3CC[C@H](N)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL461870 |
OBDepict
NH
2
N
O
HN
H
S
O
O
HN
O
N
H
NH
NH
2
|
Ki |
= |
3.0 |
nM |
555.71 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)C3CNC3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3289301 |
OBDepict
O
N
H
H
O
O
H
H
2
N
HN
NH
2
NH
H
2
N
|
Ki |
= |
3.0 |
nM |
514.63 |
N=C(N)c1cccc(COc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)c1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL212014 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
NH
NH
2
H
2
N
|
Ki |
= |
3.9 |
nM |
557.72 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCCN)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL3655685 |
OBDepict
NH
2
N
O
N
H
S
O
O
N
NH
2
HN
NH
2
|
Ki |
= |
4.2 |
nM |
549.7 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL3705096 |
single protein format |
CHEMBL437307 |
OBDepict
H
2
N
N
O
HN
H
S
O
O
N
H
O
H
2
N
NH
H
2
N
|
Ki |
= |
5.0 |
nM |
557.72 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCN)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL453766 |
OBDepict
H
2
N
N
O
N
H
S
O
O
O
O
CH
3
CH
3
HN
NH
2
|
Ki |
= |
5.4 |
nM |
593.75 |
COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1OC |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3289043 |
OBDepict
O
N
H
H
O
O
H
NH
2
NH
H
2
N
NH
NH
2
|
Ki |
= |
6.0 |
nM |
500.6 |
N=C(N)c1ccc(Oc2cc(OCc3cccc(C(=N)N)c3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL518179 |
OBDepict
H
2
N
N
O
N
H
S
O
O
O
CH
3
HN
NH
2
|
Ki |
= |
6.0 |
nM |
577.75 |
CCOc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL444411 |
OBDepict
NH
2
HN
O
S
HN
O
O
H
N
O
NH
NH
2
N
H
O
H
3
C
|
Ki |
= |
6.3 |
nM |
599.76 |
CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL379194 |
OBDepict
NH
2
N
O
HN
H
S
O
O
HN
O
NH
2
NH
H
2
N
|
Ki |
= |
6.6 |
nM |
543.69 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL512118 |
OBDepict
NH
2
HN
S
HN
O
O
H
N
O
NH
H
2
N
NH
2
|
Ki |
= |
6.7 |
nM |
529.71 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NCCCN)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL460378 |
OBDepict
H
2
N
N
O
N
H
S
O
O
O
CH
3
HN
NH
2
|
Ki |
= |
7.0 |
nM |
563.72 |
COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3289042 |
OBDepict
O
NH
H
O
O
H
NH
2
NH
H
2
N
NH
NH
2
|
Ki |
= |
10.0 |
nM |
500.6 |
N=C(N)c1ccc(COc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL3289023 |
OBDepict
O
NH
H
O
O
H
NH
2
NH
H
2
N
NH
NH
2
|
Ki |
= |
10.0 |
nM |
486.58 |
N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL499200 |
OBDepict
H
2
N
N
O
N
H
S
O
O
O
H
3
C
CH
3
HN
NH
2
|
Ki |
= |
12.0 |
nM |
591.78 |
CC(C)Oc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL492342 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
NH
NH
2
O
H
2
N
|
Ki |
= |
12.0 |
nM |
585.73 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCCC(N)=O)CC2)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL493116 |
OBDepict
NH
2
HN
O
S
HN
O
O
H
N
O
NH
H
2
N
O
H
2
N
|
Ki |
= |
13.0 |
nM |
543.65 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(C(N)=O)CC2)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL378643 |
OBDepict
H
2
N
N
H
NH
N
O
HN
H
S
O
O
N
O
HN
NH
2
|
Ki |
= |
13.0 |
nM |
592.73 |
N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)nc2)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL499274 |
OBDepict
NH
2
N
O
HN
S
O
O
N
H
NH
NH
2
|
Ki |
= |
13.0 |
nM |
572.74 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3219088 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
NH
NH
2
N
H
O
H
2
N
|
Ki |
= |
14.0 |
nM |
586.72 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(CCNC(N)=O)CC2)c1 |
Homo sapiens |
CHEMBL3225088 |
single protein format |
CHEMBL445195 |
OBDepict
NH
2
HN
O
S
HN
O
O
H
N
O
NH
H
2
N
|
Ki |
= |
17.0 |
nM |
590.75 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(Cc3ccccc3)CC2)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL3289035 |
OBDepict
OH
N
N
H
O
O
O
HN
NH
2
HN
NH
2
|
Ki |
= |
18.0 |
nM |
516.6 |
N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(CCO)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL3289033 |
OBDepict
NH
2
N
N
H
O
O
O
HN
NH
2
HN
NH
2
|
Ki |
= |
18.0 |
nM |
515.62 |
N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL3219073 |
OBDepict
NH
2
N
O
HN
H
S
O
O
F
NH
H
2
N
|
Ki |
= |
23.0 |
nM |
551.69 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccccc3F)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL3225088 |
single protein format |
CHEMBL3289300 |
OBDepict
O
NH
H
O
O
H
NH
2
NH
H
2
N
NH
NH
2
|
Ki |
= |
23.0 |
nM |
514.63 |
N=C(N)c1ccc(COc2cc(OCc3ccc(C(=N)N)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL211209 |
OBDepict
O
N
HN
H
S
O
O
N
NH
H
2
N
NH
H
2
N
|
Ki |
= |
26.0 |
nM |
539.71 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCN(C(=N)N)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL516786 |
OBDepict
NH
2
N
O
N
H
S
O
O
Cl
HN
NH
2
|
Ki |
= |
26.0 |
nM |
568.14 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL211401 |
OBDepict
NH
2
N
O
HN
H
S
O
O
N
H
O
H
2
N
NH
H
2
N
|
Ki |
= |
28.0 |
nM |
543.69 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)CCN)cc2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL513007 |
OBDepict
NH
2
N
O
HN
H
S
O
O
N
N
CH
3
HN
NH
2
|
Ki |
= |
28.0 |
nM |
549.7 |
Cc1nccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)n1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL513818 |
OBDepict
NH
2
N
O
N
H
S
O
O
Cl
HN
NH
2
|
Ki |
= |
29.0 |
nM |
568.14 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL493936 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
O
H
2
N
NH
NH
2
|
Ki |
= |
31.0 |
nM |
543.65 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC(C(N)=O)C2)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL493117 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
NH
NH
2
|
Ki |
= |
33.0 |
nM |
500.63 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCCC2)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL3219077 |
OBDepict
NH
2
N
O
HN
H
S
O
O
F
NH
H
2
N
|
Ki |
= |
33.0 |
nM |
551.69 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL3225088 |
single protein format |
CHEMBL3219089 |
OBDepict
NH
2
HN
O
S
HN
O
O
H
N
O
N
H
NH
H
2
N
O
H
2
N
|
Ki |
= |
35.0 |
nM |
558.67 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(NC(N)=O)CC2)c1 |
Homo sapiens |
CHEMBL3225088 |
single protein format |
CHEMBL493118 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
N
H
NH
NH
2
|
Ki |
= |
37.0 |
nM |
501.61 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCNCC2)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL209794 |
OBDepict
H
2
N
N
H
NH
N
O
HN
H
S
O
O
O
HN
NH
2
|
Ki |
= |
38.0 |
nM |
591.74 |
N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL3219093 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
HN
HN
NH
2
N
H
O
CH
3
|
Ki |
= |
39.0 |
nM |
586.72 |
CCNC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1 |
Homo sapiens |
CHEMBL3225088 |
single protein format |
CHEMBL3099587 |
OBDepict
O
NH
H
O
N
O
H
NH
2
NH
NH
2
NH
H
2
N
|
Ki |
= |
40.0 |
nM |
487.56 |
N=C(N)c1ccc(Oc2cc(C(=O)N[C@H]3CC[C@H](N)CC3)cc(Oc3ccc(C(=N)N)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3101481 |
assay format |
CHEMBL3099812 |
OBDepict
H
2
N
NH
O
N
HN
O
S
O
O
NH
NH
2
|
Ki |
= |
40.0 |
nM |
552.62 |
N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(Oc3ccc(C(=N)N)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3101481 |
assay format |
CHEMBL3099586 |
OBDepict
NH
2
N
N
H
O
O
N
O
NH
NH
2
NH
NH
2
|
Ki |
= |
40.0 |
nM |
530.63 |
N=C(N)c1ccc(Oc2cc(C(=O)NC3CCN(CCCN)CC3)cc(Oc3ccc(C(=N)N)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3101481 |
assay format |
CHEMBL3289298 |
OBDepict
NH
2
O
O
HN
O
H
NH
NH
2
H
NH
2
|
Ki |
= |
40.0 |
nM |
473.58 |
N=C(N)c1ccc(Oc2cc(Oc3ccc(CN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL461441 |
OBDepict
H
2
N
N
O
N
H
H
S
O
O
N
H
O
O
H
3
C
HN
NH
2
|
Ki |
= |
41.0 |
nM |
544.68 |
CCOC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL211659 |
OBDepict
NH
2
HN
NH
N
O
N
H
H
S
O
O
HN
NH
2
|
Ki |
= |
42.0 |
nM |
563.73 |
N=C(N)NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL379357 |
OBDepict
O
N
N
H
H
S
O
O
NH
H
2
N
N
NH
NH
2
|
Ki |
= |
45.0 |
nM |
589.77 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCN(C(=N)N)CC3)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL210771 |
OBDepict
H
2
N
N
H
NH
N
O
HN
H
S
O
O
HN
NH
2
|
Ki |
= |
46.0 |
nM |
549.7 |
N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL468895 |
OBDepict
NH
2
N
O
N
H
S
O
O
N
HN
NH
2
|
Ki |
= |
47.0 |
nM |
534.69 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccnc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3219075 |
OBDepict
NH
2
N
O
HN
H
S
O
O
F
NH
H
2
N
|
Ki |
= |
52.0 |
nM |
551.69 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(F)c3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL3225088 |
single protein format |
CHEMBL493520 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
CH
3
NH
H
2
N
|
Ki |
= |
53.0 |
nM |
514.65 |
CC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL380220 |
OBDepict
H
2
N
N
H
NH
N
O
HN
H
S
O
O
N
HN
NH
2
|
Ki |
= |
53.0 |
nM |
590.75 |
N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(Cc3ccncc3)cc2)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL1229259 |
OBDepict
H
2
N
N
H
NH
NH
H
N
O
S
O
O
H
HN
O
NH
H
2
N
|
Ki |
= |
55.0 |
nM |
556.69 |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810433 |
single protein format |
CHEMBL3219091 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
HN
HN
NH
2
NH
O
CH
3
|
Ki |
= |
56.0 |
nM |
572.69 |
CNC(=O)NC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1 |
Homo sapiens |
CHEMBL3225088 |
single protein format |
CHEMBL459525 |
OBDepict
NH
2
N
O
HN
H
S
O
O
HN
O
NH
2
NH
2
|
Ki |
= |
56.0 |
nM |
530.7 |
NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(CN)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL468894 |
OBDepict
NH
2
N
O
N
H
S
O
O
N
HN
NH
2
|
Ki |
= |
60.0 |
nM |
534.69 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccncc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3289032 |
OBDepict
NH
2
N
O
HN
O
O
O
NH
NH
2
HN
NH
2
|
Ki |
= |
61.0 |
nM |
543.63 |
N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(C(=O)CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL523865 |
OBDepict
NH
2
HN
O
S
HN
O
O
H
N
O
N
NH
NH
2
O
O
H
3
C
|
Ki |
= |
65.0 |
nM |
573.68 |
CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)CCN)c2)CC1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL212310 |
OBDepict
H
2
N
N
H
NH
N
O
HN
H
S
O
O
HN
NH
2
|
Ki |
= |
72.0 |
nM |
549.7 |
N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc3ccccc23)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL212577 |
OBDepict
NH
2
N
O
HN
H
S
O
O
HN
O
NH
2
NH
H
2
N
|
Ki |
= |
75.0 |
nM |
529.67 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CN)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL211754 |
OBDepict
O
N
NH
H
S
O
O
CH
3
H
3
C
H
3
C
CH
3
CH
3
CH
3
N
HN
NH
2
NH
H
2
N
|
Ki |
= |
84.0 |
nM |
583.8 |
CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=N)N)CC2)c(C(C)C)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL378830 |
OBDepict
NH
2
NH
HN
N
O
HN
H
S
O
O
HN
NH
2
|
Ki |
= |
88.0 |
nM |
581.79 |
N=C(N)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL466588 |
OBDepict
H
2
N
N
O
N
H
S
O
O
Cl
HN
H
2
N
|
Ki |
= |
91.0 |
nM |
568.14 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3289024 |
OBDepict
NH
2
N
O
O
O
NH
NH
2
NH
NH
2
|
Ki |
= |
94.0 |
nM |
500.6 |
N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL3099585 |
OBDepict
NH
2
N
O
O
N
O
NH
NH
2
NH
NH
2
|
Ki |
= |
100.0 |
nM |
501.59 |
N=C(N)c1ccc(Oc2cc(C(=O)N3CCC(CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3101481 |
assay format |
CHEMBL212538 |
OBDepict
H
3
C
H
3
C
CH
3
H
3
C
S
H
3
C
CH
3
HN
O
O
H
N
O
N
H
HN
NH
2
|
Ki |
= |
100.0 |
nM |
541.76 |
CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCNCC2)c(C(C)C)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL492333 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
H
O
O
CH
3
NH
H
2
N
|
Ki |
= |
100.0 |
nM |
558.66 |
COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL461655 |
OBDepict
NH
2
N
O
N
H
S
O
O
HN
NH
2
|
Ki |
= |
110.0 |
nM |
533.7 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL211939 |
OBDepict
NH
2
N
O
HN
H
S
O
O
NH
H
2
N
|
Ki |
= |
110.0 |
nM |
507.66 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL3289044 |
OBDepict
NH
2
N
H
O
O
O
HN
O
H
NH
NH
2
H
H
2
N
|
Ki |
= |
116.0 |
nM |
530.63 |
N=C(N)c1ccc(Oc2cc(Oc3ccc(NC(=O)CCN)cc3)cc(C(=O)N[C@H]3CC[C@H](N)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL210189 |
OBDepict
O
N
HN
H
S
O
O
NH
H
2
N
N
H
|
Ki |
= |
120.0 |
nM |
547.73 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCNCC3)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL513339 |
OBDepict
NH
2
N
O
HN
H
S
O
O
HN
O
OH
NH
H
2
N
|
Ki |
= |
120.0 |
nM |
544.68 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCO)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL3289022 |
OBDepict
NH
2
N
N
H
O
O
O
NH
NH
2
NH
NH
2
|
Ki |
= |
141.0 |
nM |
529.65 |
N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCN(CCCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL466585 |
OBDepict
H
2
N
N
O
N
H
S
O
O
O
CH
3
NH
2
|
Ki |
= |
145.0 |
nM |
550.73 |
COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(CN)c3)C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL506479 |
OBDepict
NH
2
HN
O
S
HN
O
O
H
N
O
N
NH
H
2
N
HO
|
Ki |
= |
150.0 |
nM |
593.71 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCN(c3ccc(O)cc3)CC2)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL210815 |
OBDepict
H
2
N
N
O
HN
H
S
O
O
NH
H
2
N
|
Ki |
= |
160.0 |
nM |
521.69 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CCCN)CC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL461440 |
OBDepict
NH
2
N
O
NH
H
S
O
O
NH
O
H
3
C
NH
H
2
N
|
Ki |
= |
180.0 |
nM |
528.68 |
CCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010203 |
single protein format |
CHEMBL494128 |
OBDepict
NH
2
N
H
O
S
N
H
O
O
H
N
O
H
O
HO
NH
NH
2
|
Ki |
= |
180.0 |
nM |
544.63 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCCC[C@@H]2C(=O)O)c1 |
Homo sapiens |
CHEMBL954312 |
single protein format |
CHEMBL26370 |
OBDepict
I
O
HN
NH
2
O
NH
NH
2
|
Ki |
= |
191.0 |
nM |
480.35 |
N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2I)cc1 |
Homo sapiens |
CHEMBL718140 |
single protein format |
CHEMBL3099813 |
OBDepict
H
2
N
NH
O
N
HN
O
S
O
O
N
NH
NH
2
|
Ki |
= |
200.0 |
nM |
553.6 |
N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4cccnc34)c(Oc3ccc(C(=N)N)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3101481 |
assay format |
CHEMBL3099584 |
OBDepict
NH
2
N
O
O
N
O
HN
NH
2
NH
NH
2
|
Ki |
= |
200.0 |
nM |
501.59 |
N=C(N)c1ccc(Oc2ccc(C(=O)N3CCC(CCN)CC3)c(Oc3ccc(C(=N)N)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3101481 |
assay format |
CHEMBL3099589 |
OBDepict
F
S
HN
O
O
O
N
O
HN
NH
2
NH
NH
2
|
Ki |
= |
200.0 |
nM |
520.55 |
N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(Oc3ccc(C(=N)N)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3101481 |
assay format |
CHEMBL379957 |
OBDepict
CH
3
CH
3
CH
3
S
NH
O
O
H
N
O
N
NH
H
2
N
O
N
NH
2
NH
2
|
Ki |
= |
200.0 |
nM |
598.77 |
CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCN(C(=O)CCN=C(N)N)CC2)cc1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL3289021 |
OBDepict
OH
N
N
H
O
O
O
HN
NH
2
NH
NH
2
|
Ki |
= |
204.0 |
nM |
516.6 |
N=C(N)c1ccc(Oc2cc(Oc3ccc(C(=N)N)cc3)cc(C(=O)NC3CCN(CCO)CC3)c2)cc1 |
Homo sapiens |
CHEMBL3294545 |
single protein format |
CHEMBL26856 |
OBDepict
NH
2
NH
O
O
NH
H
2
N
|
Ki |
= |
208.0 |
nM |
346.39 |
N=C(N)c1ccc(Oc2ccc(Oc3ccc(C(=N)N)cc3)cc2)cc1 |
Homo sapiens |
CHEMBL718140 |
single protein format |
CHEMBL212271 |
OBDepict
NH
2
N
H
NH
N
O
N
O
N
H
H
S
O
O
NH
NH
2
|
Ki |
= |
210.0 |
nM |
578.7 |
N=C(N)NCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 |
Homo sapiens |
CHEMBL868541 |
single protein format |
CHEMBL209586 |
OBDepict
O
N
HN
H
S
O
O
N
H
NH
H
2
N
|
Ki |
= |
240.0 |
nM |
497.67 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(C3CCCCC3)cc2)C(=O)N2CCNCC2)c1 |
Homo sapiens |
CHEMBL868541 |
single protein format |