molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL505190 |
|
IC50 |
= |
0.035 |
nM |
540.65 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccsc3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL502293 |
OBDepict
HO
S
N
H
O
O
OH
N
H
O
NH
H
2
N
CH
3
H
3
C
|
IC50 |
= |
0.06 |
nM |
570.67 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3cscc3CO)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL520364 |
OBDepict
H
3
C
CH
3
NH
O
O
OH
N
H
O
CH
2
CH
3
HN
NH
2
|
IC50 |
= |
0.07 |
nM |
498.58 |
C=C(C)c1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL484615 |
OBDepict
CH
3
N
H
O
O
HO
HN
O
NH
NH
2
CH
3
H
3
C
|
IC50 |
= |
0.127 |
nM |
496.57 |
CC#Cc1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL505455 |
OBDepict
H
3
C
CH
3
HN
O
O
HO
N
H
O
O
NH
H
2
N
|
IC50 |
= |
0.163 |
nM |
524.58 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccco3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL507020 |
OBDepict
H
2
N
S
N
H
O
O
OH
N
H
O
NH
H
2
N
CH
3
H
3
C
|
IC50 |
= |
0.229 |
nM |
569.69 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3cscc3CN)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL105819 |
OBDepict
O
NH
H
N
O
N
CH
3
H
H
2
N
NH
2
HN
O
OH
H
3
C
+
N
CH
3
H
O
_
O
|
IC50 |
= |
0.23 |
nM |
555.64 |
CC(O)[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCN=C(N)N |
Homo sapiens |
CHEMBL764379 |
single protein format |
CHEMBL451066 |
OBDepict
_
N
+
N
N
S
N
H
O
O
OH
N
H
O
NH
H
2
N
CH
3
H
3
C
|
IC50 |
= |
0.242 |
nM |
595.68 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3cscc3CN=[N+]=[N-])cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL506771 |
OBDepict
H
3
C
CH
3
HN
O
O
HO
N
H
O
O
NH
H
2
N
|
IC50 |
= |
0.252 |
nM |
524.58 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccoc3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL505720 |
OBDepict
H
3
C
CH
3
NH
O
O
OH
N
H
O
H
3
C
CH
3
HN
NH
2
|
IC50 |
= |
0.308 |
nM |
526.64 |
CC(C)=CCc1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL507281 |
OBDepict
OH
CH
2
N
H
O
O
OH
N
H
O
HN
NH
2
CH
3
CH
3
|
IC50 |
= |
0.358 |
nM |
528.61 |
C=C(CCO)c1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL499632 |
OBDepict
HO
S
N
H
O
O
OH
N
H
O
NH
H
2
N
CH
3
H
3
C
|
IC50 |
= |
0.408 |
nM |
570.67 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccsc3CO)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL507279 |
OBDepict
HO
O
N
H
O
O
OH
N
H
O
NH
H
2
N
CH
3
H
3
C
|
IC50 |
= |
0.457 |
nM |
554.6 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccoc3CO)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL524548 |
OBDepict
H
3
C
CH
3
HN
O
O
HO
N
H
O
N
S
NH
H
2
N
|
IC50 |
= |
0.494 |
nM |
541.63 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3nccs3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL524370 |
OBDepict
HO
O
N
H
O
O
OH
N
H
O
NH
H
2
N
CH
3
H
3
C
|
IC50 |
= |
0.554 |
nM |
554.6 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3cocc3CO)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL524732 |
OBDepict
CH
3
H
3
C
N
H
O
O
HO
NH
O
NH
H
2
N
|
IC50 |
= |
0.656 |
nM |
548.64 |
CC(C)CNC(=O)c1ccc(-c2ccc(Cc3ccccc3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL484616 |
OBDepict
CH
3
N
H
O
O
OH
NH
O
HN
NH
2
CH
3
H
3
C
|
IC50 |
= |
0.684 |
nM |
512.61 |
C/C=CCc1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL523251 |
OBDepict
OH
CH
2
N
H
O
O
OH
N
H
O
HN
NH
2
CH
3
CH
3
|
IC50 |
= |
0.81 |
nM |
514.58 |
C=C(CO)c1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL526504 |
OBDepict
H
3
C
CH
3
HN
O
O
HO
HN
O
S
NH
H
2
N
|
IC50 |
= |
0.913 |
nM |
554.67 |
CC(C)CNC(=O)c1ccc(-c2ccc(Cc3cccs3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL487956 |
OBDepict
CH
N
H
O
O
HO
HN
O
NH
NH
2
CH
3
H
3
C
|
IC50 |
= |
1.0 |
nM |
482.54 |
C#Cc1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL503584 |
OBDepict
HO
O
N
H
O
O
OH
N
H
O
NH
H
2
N
CH
3
H
3
C
|
IC50 |
= |
1.066 |
nM |
554.6 |
CC(C)CNC(=O)c1ccc(-c2ccc(-c3occc3CO)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL487955 |
OBDepict
H
2
C
N
H
O
O
HO
HN
O
NH
NH
2
H
3
C
CH
3
|
IC50 |
= |
2.47 |
nM |
498.58 |
C=CCc1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL73737 |
OBDepict
Cl
OH
N
N
H
H
2
N
HN
NH
2
|
Ki |
= |
3.2 |
nM |
377.84 |
N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)nc2c1 |
Homo sapiens |
CHEMBL764723 |
single protein format |
CHEMBL290376 |
OBDepict
CH
3
NH
O
H
N
O
H
HN
O
B
H
HO
OH
N
H
2
N
NH
2
|
Ki |
= |
5.1 |
nM |
460.34 |
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O |
Homo sapiens |
CHEMBL766336 |
single protein format |
CHEMBL355376 |
OBDepict
H
2
N
N
H
HN
NH
O
N
S
O
N
O
N
S
O
O
N
|
IC50 |
= |
10.0 |
nM |
572.67 |
N=C(N)NCCCC(NC(=O)CN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1=O)C(=O)c1nccs1 |
Homo sapiens |
CHEMBL766116 |
single protein format |
CHEMBL488778 |
OBDepict
H
3
C
O
N
H
O
O
HO
HN
O
NH
NH
2
CH
3
CH
3
|
IC50 |
= |
14.37 |
nM |
488.54 |
COc1ccc(-c2ccc(C(=O)NCC(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL1035205 |
single protein format |
CHEMBL112931 |
OBDepict
H
3
C
O
O
NH
H
N
O
S
O
O
HN
O
H
HO
N
HN
H
2
N
|
IC50 |
= |
14.8 |
nM |
538.63 |
COC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C(=N)N)C1O |
Homo sapiens |
CHEMBL760751 |
single protein format |
CHEMBL1809213 |
OBDepict
NH
2
N
H
NH
NH
H
N
O
S
O
O
H
HN
O
NH
H
2
N
|
Ki |
= |
17.5 |
nM |
570.72 |
N=C(N)NCCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810431 |
single protein format |
CHEMBL273196 |
OBDepict
O
NH
H
O
H
N
N
O
NH
2
H
2
N
N
H
H
CH
3
|
IC50 |
= |
25.0 |
nM |
416.53 |
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N |
Homo sapiens |
CHEMBL764379 |
single protein format |
CHEMBL469090 |
OBDepict
NH
2
N
O
HN
H
S
O
O
N
H
2
N
NH
H
2
N
|
Ki |
= |
28.0 |
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 |
CHEMBL1010202 |
single protein format |
CHEMBL4520324 |
OBDepict
OH
N
H
H
N
H
O
S
O
O
H
NH
O
HN
H
2
N
|
Ki |
= |
36.0 |
nM |
551.67 |
N=C(N)c1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL4356329 |
single protein format |
CHEMBL320233 |
OBDepict
CH
3
S
O
O
O
N
H
O
NH
NH
2
O
|
Ki |
= |
38.0 |
nM |
531.63 |
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(=N)N)cc23)co1 |
Homo sapiens |
CHEMBL760130 |
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 |
= |
39.0 |
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 |
CHEMBL1810431 |
single protein format |
CHEMBL104211 |
OBDepict
CH
3
S
O
N
H
O
HN
NH
2
|
Ki |
= |
53.0 |
nM |
415.52 |
CCSc1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1 |
Homo sapiens |
CHEMBL760130 |
single protein format |
CHEMBL110780 |
OBDepict
O
N
H
O
H
N
N
O
H
2
N
NH
2
HN
H
O
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
55.0 |
nM |
538.65 |
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C=O)CCCN=C(N)N)c1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL321319 |
OBDepict
CH
3
S
O
O
O
N
H
O
NH
H
2
N
|
Ki |
= |
56.0 |
nM |
447.52 |
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1 |
Homo sapiens |
CHEMBL760130 |
single protein format |
CHEMBL1809216 |
OBDepict
H
2
N
HN
H
N
O
S
O
O
H
N
H
O
NH
NH
2
|
Ki |
= |
63.0 |
nM |
528.68 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810431 |
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 |
= |
80.0 |
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 |
CHEMBL1010202 |
single protein format |
CHEMBL319930 |
OBDepict
O
N
H
H
O
H
N
N
O
NH
2
NH
2
NH
H
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
81.0 |
nM |
494.64 |
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N)C1CCCCC1 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL513818 |
OBDepict
NH
2
N
O
N
H
S
O
O
Cl
HN
NH
2
|
Ki |
= |
85.0 |
nM |
568.14 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccccc3Cl)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010202 |
single protein format |
CHEMBL102216 |
OBDepict
O
N
H
H
O
H
N
N
O
H
2
N
H
2
N
HN
H
O
O
F
CH
3
CH
3
H
3
C
|
IC50 |
= |
85.0 |
nM |
506.58 |
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N)c1ccc(F)cc1 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL104505 |
OBDepict
O
N
H
HN
N
N
HN
NH
2
|
Ki |
= |
90.0 |
nM |
382.43 |
N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL760130 |
single protein format |
CHEMBL321322 |
OBDepict
O
N
H
H
O
H
N
N
O
H
2
N
H
2
N
HN
H
O
O
HO
CH
3
CH
3
H
3
C
|
IC50 |
= |
94.0 |
nM |
504.59 |
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N)c1ccc(O)cc1 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL318998 |
OBDepict
O
N
H
H
O
H
N
N
O
NH
2
NH
2
NH
H
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
98.0 |
nM |
488.59 |
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N)c1ccccc1 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL59704 |
OBDepict
OH
O
N
H
NH
NH
2
|
Ki |
= |
100.0 |
nM |
343.39 |
N=C(N)c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL765098 |
single protein format |
CHEMBL96433 |
OBDepict
OH
N
H
NH
NH
2
|
Ki |
= |
100.0 |
nM |
327.39 |
N=C(N)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL764412 |
single protein format |
CHEMBL468894 |
OBDepict
NH
2
N
O
N
H
S
O
O
N
HN
NH
2
|
Ki |
= |
110.0 |
nM |
534.69 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccncc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010202 |
single protein format |
CHEMBL1809241 |
OBDepict
O
N
N
H
N
H
H
N
O
S
O
O
H
HN
O
HN
NH
2
|
Ki |
= |
114.0 |
nM |
597.74 |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL1810431 |
single protein format |
CHEMBL460378 |
OBDepict
H
2
N
N
O
N
H
S
O
O
O
CH
3
HN
NH
2
|
Ki |
= |
120.0 |
nM |
563.72 |
COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL1010202 |
single protein format |
CHEMBL162461 |
OBDepict
NH
2
HN
NH
N
H
H
O
N
S
O
N
O
N
S
O
O
|
IC50 |
= |
121.0 |
nM |
535.65 |
N=C(N)NCCC[C@@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1=O)C(=O)c1nccs1 |
Homo sapiens |
CHEMBL766116 |
single protein format |
CHEMBL369042 |
OBDepict
HO
NH
N
O
O
O
H
N
H
O
OH
N
HN
NH
2
|
IC50 |
= |
125.0 |
nM |
476.53 |
N=C(N)N1CCCC(NC(=O)[C@H]2CCCN2C(=O)C(CO)NC(=O)OCc2ccccc2)C1O |
Homo sapiens |
CHEMBL765083 |
single protein format |
CHEMBL320988 |
OBDepict
O
NH
O
H
N
N
O
NH
2
H
2
N
NH
O
O
F
F
F
H
3
C
H
3
C
CH
3
|
IC50 |
= |
130.0 |
nM |
556.59 |
CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(C=O)CCCN=C(N)N)c1cccc(C(F)(F)F)c1 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL360195 |
OBDepict
NH
2
NH
O
|
Ki |
= |
134.0 |
nM |
338.41 |
N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(-c3ccoc3)c2c1 |
Homo sapiens |
CHEMBL826337 |
single protein format |
CHEMBL44050 |
OBDepict
CH
3
O
O
H
NH
H
3
C
H
O
HN
NH
2
O
H
2
N
|
Ki |
= |
140.0 |
nM |
472.55 |
COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(C(N)=O)c2)cc1 |
Homo sapiens |
CHEMBL765094 |
single protein format |
CHEMBL330206 |
OBDepict
H
2
N
B
NH
H
OH
OH
O
N
O
CH
3
H
3
C
|
Ki |
= |
140.0 |
nM |
377.29 |
CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 |
Homo sapiens |
CHEMBL766336 |
single protein format |
CHEMBL104166 |
OBDepict
H
2
N
NH
O
N
H
N
N
NH
NH
2
|
Ki |
= |
150.0 |
nM |
411.47 |
N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL760130 |
single protein format |
CHEMBL518179 |
OBDepict
H
2
N
N
O
N
H
S
O
O
O
CH
3
HN
NH
2
|
Ki |
= |
150.0 |
nM |
577.75 |
CCOc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL1010202 |
single protein format |
CHEMBL433510 |
OBDepict
H
3
C
CH
3
O
O
O
HN
H
NH
O
S
O
O
H
3
C
H
N
H
O
NH
NH
2
|
Ki |
= |
150.0 |
nM |
561.66 |
CC(C)COC(=O)OC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL765090 |
single protein format |
CHEMBL158939 |
OBDepict
OH
N
H
H
N
O
S
O
O
H
NH
O
NH
H
2
N
|
Ki |
= |
150.0 |
nM |
487.58 |
N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 |
Homo sapiens |
CHEMBL765090 |
single protein format |
CHEMBL2370418 |
OBDepict
O
N
H
H
O
H
N
N
O
H
2
N
NH
2
HN
H
S
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
150.0 |
nM |
494.62 |
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N)c1ccsc1 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL342611 |
OBDepict
O
N
H
H
O
H
N
N
O
H
2
N
NH
2
N
H
H
O
O
H
3
C
CH
3
H
3
C
|
IC50 |
= |
150.0 |
nM |
474.56 |
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N)c1ccccc1 |
Homo sapiens |
CHEMBL764381 |
single protein format |
CHEMBL317137 |
OBDepict
NH
2
B
N
H
H
OH
OH
O
N
O
|
Ki |
= |
160.0 |
nM |
375.28 |
NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CC1)B(O)O |
Homo sapiens |
CHEMBL766336 |
single protein format |
CHEMBL1809256 |
OBDepict
OH
N
H
H
O
N
H
H
S
O
O
HN
NH
NH
2
HN
H
2
N
|
Ki |
= |
161.0 |
nM |
503.63 |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](CO)NCc1ccc(C(=N)N)cc1 |
Homo sapiens |
CHEMBL1810431 |
single protein format |
CHEMBL99309 |
OBDepict
H
2
N
B
HN
H
OH
HO
O
N
O
|
Ki |
= |
170.0 |
nM |
439.37 |
NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O |
Homo sapiens |
CHEMBL766336 |
single protein format |
CHEMBL108670 |
OBDepict
O
NH
O
H
N
N
O
NH
2
H
2
N
NH
O
O
Cl
Cl
H
3
C
H
3
C
CH
3
|
IC50 |
= |
180.0 |
nM |
557.48 |
CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(C=O)CCCN=C(N)N)c1ccc(Cl)c(Cl)c1 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL109109 |
OBDepict
O
N
H
O
H
N
N
O
H
2
N
NH
2
HN
H
O
O
CH
3
H
3
C
CH
3
|
IC50 |
= |
180.0 |
nM |
538.65 |
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(C=O)CCCN=C(N)N)c1cccc2ccccc12 |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL516786 |
OBDepict
NH
2
N
O
N
H
S
O
O
Cl
HN
NH
2
|
Ki |
= |
183.0 |
nM |
568.14 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010202 |
single protein format |
CHEMBL421214 |
OBDepict
CH
3
O
CH
3
HN
O
O
NH
H
2
N
|
Ki |
= |
190.0 |
nM |
417.51 |
CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(C(=N)N)ccc3c2)c1 |
Homo sapiens |
CHEMBL760130 |
single protein format |
CHEMBL94775 |
OBDepict
_
O
+
N
O
OH
N
H
HN
NH
2
|
Ki |
= |
190.0 |
nM |
372.38 |
N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL764730 |
single protein format |
CHEMBL104472 |
OBDepict
O
HN
H
O
H
N
N
O
H
2
N
NH
2
N
H
H
O
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
190.0 |
nM |
502.62 |
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N |
Homo sapiens |
CHEMBL766113 |
single protein format |
CHEMBL468270 |
OBDepict
NH
2
S
HN
O
O
H
N
O
NH
H
2
N
NH
2
|
Ki |
= |
200.0 |
nM |
528.72 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(CCCCN)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010202 |
single protein format |
CHEMBL381709 |
OBDepict
H
N
H
N
O
H
O
OH
HN
O
S
N
HN
H
2
N
|
IC50 |
= |
201.0 |
nM |
462.58 |
N=C(N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)n1 |
Homo sapiens |
CHEMBL865717 |
single protein format |
CHEMBL210189 |
OBDepict
O
N
HN
H
S
O
O
NH
H
2
N
N
H
|
Ki |
= |
210.0 |
nM |
547.73 |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(C3CCNCC3)CC2)c1 |
Homo sapiens |
CHEMBL868543 |
single protein format |
CHEMBL513007 |
OBDepict
NH
2
N
O
HN
H
S
O
O
N
N
CH
3
HN
NH
2
|
Ki |
= |
210.0 |
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 |
CHEMBL1010202 |
single protein format |
CHEMBL460810 |
OBDepict
H
2
N
N
O
N
H
S
O
O
CH
3
HN
NH
2
|
Ki |
= |
214.0 |
nM |
561.75 |
CCc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1 |
Homo sapiens |
CHEMBL1010202 |
single protein format |
CHEMBL3752964 |
OBDepict
CH
3
HN
O
HN
H
O
H
O
H
NH
2
N
|
IC50 |
= |
220.0 |
nM |
572.79 |
CCCCCCCCNC(=O)[C@H](Cc1ccc(OCc2ccc3ccccc3n2)cc1)NC(=O)[C@H]1CC[C@H](CN)CC1 |
Homo sapiens |
CHEMBL3755269 |
single protein format |
CHEMBL101759 |
OBDepict
NH
2
B
N
H
H
HO
OH
O
N
O
|
Ki |
= |
230.0 |
nM |
411.31 |
NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O |
Homo sapiens |
CHEMBL766336 |
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 |
= |
230.0 |
nM |
593.75 |
COc1ccc(-c2cccc(S(=O)(=O)NC(Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)cc1OC |
Homo sapiens |
CHEMBL1010202 |
single protein format |
CHEMBL461016 |
OBDepict
NH
2
N
O
HN
H
S
O
O
N
H
2
N
NH
H
2
N
|
Ki |
= |
230.0 |
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 |
CHEMBL1010202 |
single protein format |
CHEMBL2370865 |
OBDepict
O
HN
H
O
H
N
NH
O
NH
H
2
N
H
HN
H
H
|
IC50 |
= |
230.0 |
nM |
420.56 |
N=C(N)NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 |
Homo sapiens |
CHEMBL764381 |
single protein format |
CHEMBL181599 |
OBDepict
NH
2
NH
Br
|
Ki |
= |
239.0 |
nM |
365.27 |
N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Br)c2c1 |
Homo sapiens |
CHEMBL826337 |
single protein format |
CHEMBL273264 |
OBDepict
NH
2
HN
NH
O
O
NH
H
2
N
|
IC50 |
= |
240.0 |
nM |
347.38 |
N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 |
Homo sapiens |
CHEMBL764375 |
single protein format |
CHEMBL182959 |
OBDepict
NH
2
NH
HN
N
N
|
Ki |
= |
243.0 |
nM |
379.47 |
N=C(N)c1ccc2cc(C3CC3c3ccccc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL826337 |
single protein format |
CHEMBL328772 |
OBDepict
NH
2
NH
N
H
OH
Br
|
Ki |
= |
250.0 |
nM |
330.19 |
N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1 |
Homo sapiens |
CHEMBL764412 |
single protein format |
CHEMBL419892 |
OBDepict
NH
2
B
NH
H
HO
OH
O
N
O
|
Ki |
= |
250.0 |
nM |
417.36 |
NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CCCCC1)B(O)O |
Homo sapiens |
CHEMBL766336 |
single protein format |
CHEMBL52427 |
OBDepict
CH
3
OH
N
H
NH
H
2
N
|
Ki |
= |
250.0 |
nM |
341.41 |
Cc1cc(-c2ccccc2)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1 |
Homo sapiens |
CHEMBL764412 |
single protein format |
CHEMBL171271 |
OBDepict
CH
3
HN
S
N
H
O
O
O
N
N
H
O
H
OH
N
NH
H
2
N
|
IC50 |
= |
250.0 |
nM |
505.6 |
CNS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)N[C@H]2CCCN(C(=N)N)C2O)c1=O |
Homo sapiens |
CHEMBL764380 |
single protein format |
CHEMBL317682 |
OBDepict
H
2
N
B
NH
H
OH
OH
O
N
CH
3
O
|
Ki |
= |
250.0 |
nM |
349.24 |
CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 |
Homo sapiens |
CHEMBL766336 |
single protein format |
CHEMBL85282 |
OBDepict
CH
3
O
O
NH
S
O
N
O
O
N
H
O
H
H
OH
N
NH
H
2
N
|
IC50 |
= |
271.0 |
nM |
538.63 |
CCOC(=O)[C@]1(NS(=O)(=O)Cc2ccccc2)CCCN(CC(=O)N[C@H]2CCCN(C(=N)N)[C@@H]2O)C1=O |
Homo sapiens |
CHEMBL764388 |
single protein format |
CHEMBL176515 |
OBDepict
OH
N
H
H
N
H
O
S
O
O
CH
3
H
N
H
O
H
HO
N
HN
NH
2
|
IC50 |
= |
275.0 |
nM |
470.55 |
C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O |
Homo sapiens |
CHEMBL765083 |
single protein format |
CHEMBL362600 |
OBDepict
NH
2
NH
N
H
N
N
|
Ki |
= |
277.0 |
nM |
365.44 |
N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1 |
Homo sapiens |
CHEMBL826337 |
single protein format |
CHEMBL64097 |
OBDepict
CH
3
I
OH
NH
O
HN
NH
2
|
Ki |
= |
290.0 |
nM |
395.2 |
Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)cc2)c1 |
Homo sapiens |
CHEMBL765100 |
single protein format |
CHEMBL92883 |
OBDepict
Cl
OH
N
H
HN
NH
2
|
Ki |
= |
290.0 |
nM |
361.83 |
N=C(N)c1ccc2[nH]c(-c3cc(Cl)cc(-c4ccccc4)c3O)cc2c1 |
Homo sapiens |
CHEMBL764412 |
single protein format |
CHEMBL18767 |
OBDepict
OH
O
F
F
F
CH
3
O
O
N
NH
H
2
N
S
O
O
H
2
N
|
Ki |
= |
300.0 |
nM |
594.61 |
COC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL847136 |
single protein format |
CHEMBL64579 |
OBDepict
OH
O
N
H
NH
NH
2
|
Ki |
= |
310.0 |
nM |
335.41 |
N=C(N)c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1 |
Homo sapiens |
CHEMBL765098 |
single protein format |
CHEMBL4471405 |
OBDepict
NH
2
N
H
NH
O
O
S
O
O
H
2
N
|
Ki |
= |
310.0 |
nM |
334.36 |
N=C(N)Nc1ccc(C(=O)Oc2ccc(S(N)(=O)=O)cc2)cc1 |
Homo sapiens |
CHEMBL4356355 |
single protein format |
CHEMBL112726 |
OBDepict
H
3
C
NH
O
H
3
C
H
N
O
O
O
H
3
C
N
H
O
H
HO
N
HN
NH
2
|
IC50 |
= |
315.0 |
nM |
510.64 |
CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C(=N)N)C1O |
Homo sapiens |
CHEMBL760751 |
single protein format |
CHEMBL319047 |
OBDepict
O
NH
O
NH
NH
2
|
Ki |
= |
320.0 |
nM |
355.4 |
N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccoc3)c2c1 |
Homo sapiens |
CHEMBL760130 |
single protein format |
CHEMBL323783 |
OBDepict
NH
2
N
H
Cl
O
N
O
N
H
O
|
IC50 |
= |
330.0 |
nM |
505.02 |
NCc1ccc(Cl)c(NC(=O)CN2CCCCC(NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1 |
Homo sapiens |
CHEMBL764378 |
single protein format |
CHEMBL466588 |
OBDepict
H
2
N
N
O
N
H
S
O
O
Cl
HN
H
2
N
|
Ki |
= |
334.0 |
nM |
568.14 |
N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3cccc(Cl)c3)c2)C(=O)N2CCC(CCN)CC2)c1 |
Homo sapiens |
CHEMBL1010202 |
single protein format |