molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855730 |
|
IC50 |
= |
-11000.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804745 |
cell-based format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-2000.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804745 |
cell-based format |
CHEMBL2312654 |
OBDepict
CH
3
N
H
3
C
NH
N
N
N
H
O
N
CH
3
Cl
Cl
|
IC50 |
= |
0.7 |
nM |
461.4 |
Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)on1 |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL4873571 |
OBDepict
O
N
H
N
O
F
NH
O
N
O
N
CH
3
H
3
C
O
F
|
IC50 |
= |
1.0 |
nM |
561.55 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4823597 |
single protein format |
CHEMBL2312649 |
OBDepict
CH
3
N
HN
O
N
NH
N
N
H
N
Cl
Cl
CH
3
H
3
C
|
IC50 |
= |
2.0 |
nM |
520.51 |
CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)CC1 |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL2036806 |
OBDepict
H
3
C
N
H
N
N
N
N
H
N
H
H
2
N
NH
|
IC50 |
= |
2.9 |
nM |
462.65 |
CCCCNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037932 |
single protein format |
CHEMBL2311550 |
OBDepict
H
3
C
HN
H
OH
N
N
N
H
N
H
O
Cl
Cl
N
H
3
C
|
IC50 |
= |
3.0 |
nM |
467.4 |
CC[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL4283353 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
3.1 |
nM |
504.72 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276359 |
assay format |
CHEMBL4286701 |
OBDepict
H
3
C
HN
CH
3
H
N
N
N
H
H
HO
N
|
IC50 |
= |
3.4 |
nM |
487.69 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4C5CCC4CC5)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4283353 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
H
OH
N
N
H
3
C
|
Ki |
= |
3.87 |
nM |
504.72 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4753082 |
OBDepict
H
3
C
O
N
N
H
O
O
F
F
O
Cl
N
NH
2
|
IC50 |
= |
4.3 |
nM |
498.87 |
COc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 |
Homo sapiens |
CHEMBL4686592 |
single protein format |
CHEMBL460702 |
OBDepict
CH
3
O
N
N
H
O
O
F
F
O
Cl
N
NH
2
|
IC50 |
= |
4.3 |
nM |
512.9 |
CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 |
Homo sapiens |
CHEMBL957101 |
single protein format |
CHEMBL4280761 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
N
CH
3
|
IC50 |
= |
4.3 |
nM |
504.72 |
CCCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4277564 |
OBDepict
H
3
C
N
H
H
3
C
H
N
N
N
H
H
HO
HN
N
CH
3
CH
3
|
IC50 |
= |
4.4 |
nM |
506.74 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CNCCN(CC)CC)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL2036807 |
OBDepict
H
N
N
H
NH
2
N
N
H
N
N
NH
|
IC50 |
= |
5.9 |
nM |
524.72 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037932 |
single protein format |
CHEMBL2312651 |
OBDepict
CH
3
N
HN
O
N
N
NH
N
H
H
O
NH
Cl
Cl
|
IC50 |
= |
6.0 |
nM |
506.44 |
CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2N[C@H]2CCCCNC2=O)CC1 |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL4279154 |
OBDepict
H
3
C
N
H
H
3
C
N
N
N
H
H
HO
N
N
CH
3
|
IC50 |
= |
6.7 |
nM |
504.72 |
CCC(CC)CNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4282624 |
OBDepict
H
3
C
N
H
CH
3
N
N
N
H
H
HO
N
N
CH
3
|
IC50 |
= |
6.7 |
nM |
490.7 |
CCCC(C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4288009 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
N
CH
3
|
IC50 |
= |
6.9 |
nM |
518.75 |
CCCCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL3964573 |
OBDepict
CH
3
N
N
N
N
N
NH
H
H
2
N
O
HN
|
IC50 |
= |
7.5 |
nM |
560.79 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL2312650 |
OBDepict
CH
3
N
HN
O
N
NH
N
N
H
O
Cl
Cl
|
IC50 |
= |
9.0 |
nM |
479.41 |
CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCOCC2)CC1 |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL4289301 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
N
H
OH
HN
|
IC50 |
= |
9.0 |
nM |
463.63 |
CCC[C@H](C)Nc1ncc2c(-c3ccnc(N4CCNCC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL2312652 |
OBDepict
H
3
C
N
NH
O
N
N
N
H
N
H
H
O
H
OH
Cl
Cl
|
IC50 |
= |
10.0 |
nM |
481.38 |
CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2N[C@@H]2COC[C@H]2O)CC1 |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL4291202 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
O
|
IC50 |
= |
10.0 |
nM |
477.65 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCOCC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4294601 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
H
N
H
3
C
CH
3
|
IC50 |
= |
11.0 |
nM |
504.72 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CC[C@H](N(C)C)C4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4287078 |
OBDepict
CH
3
CH
3
N
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
12.0 |
nM |
490.7 |
CCC(C)CNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4287582 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
12.0 |
nM |
490.7 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL3892515 |
OBDepict
CH
3
N
N
N
N
N
N
H
H
H
2
N
O
NH
|
IC50 |
= |
13.0 |
nM |
532.74 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL4294819 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
13.0 |
nM |
490.7 |
CCC[C@@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL2036804 |
OBDepict
H
3
C
N
H
N
N
N
N
H
N
N
H
H
2
N
NH
|
IC50 |
= |
14.0 |
nM |
463.63 |
CCCCNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037932 |
single protein format |
CHEMBL2312657 |
OBDepict
Cl
N
H
Cl
N
N
NH
Br
H
O
H
OH
|
IC50 |
= |
15.0 |
nM |
420.09 |
O[C@@H]1COC[C@H]1Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1Br |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL3326006 |
OBDepict
CH
3
N
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
17.0 |
nM |
476.67 |
CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL3363357 |
single protein format |
CHEMBL3809489 |
OBDepict
NH
2
N
N
N
N
H
N
N
H
N
|
IC50 |
= |
17.0 |
nM |
506.66 |
Nc1nc(Nc2ccc3c(c2)CC[C@@H](N2CCCC2)CC3)nn1-c1cc2c(nn1)-c1ccccc1CCC2 |
Homo sapiens |
CHEMBL4188981 |
assay format |
CHEMBL3326007 |
OBDepict
CH
3
N
N
N
N
N
H
N
H
H
HO
|
IC50 |
= |
17.0 |
nM |
488.68 |
CN1CCN(Cc2ccc(-c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCCC5CC5)ncc34)cc2)CC1 |
Homo sapiens |
CHEMBL3363357 |
single protein format |
CHEMBL4847691 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
H
N
CH
3
|
IC50 |
= |
18.0 |
nM |
510.73 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)[C@H]4CCCN(C)C4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL2036803 |
OBDepict
NH
2
N
N
N
N
H
N
|
IC50 |
= |
18.0 |
nM |
426.57 |
NC1CCC(Cn2nc(-c3ccccc3)c3cnc(NCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037932 |
single protein format |
CHEMBL4877347 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
H
3
C
N
CH
3
|
Ki |
= |
19.1 |
nM |
518.71 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838732 |
single protein format |
CHEMBL2018145 |
OBDepict
H
3
C
N
N
N
N
NH
2
HN
O
H
HO
|
IC50 |
= |
20.0 |
nM |
444.54 |
Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4C5CC6CC4C[C@](O)(C6)C5)n3)c2)cn1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL2018146 |
OBDepict
H
3
C
N
N
N
N
NH
2
N
H
O
H
HO
|
IC50 |
= |
20.0 |
nM |
458.57 |
CCn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4C5CC6CC4C[C@](O)(C6)C5)n3)c2)cn1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL4281432 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
N
H
HO
N
CH
3
|
IC50 |
= |
21.0 |
nM |
476.67 |
CCC[C@H](C)Nc1ncc2c(-c3cccc(N4CCN(C)CC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL3092791 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
OH
N
CH
3
H
3
C
|
IC50 |
= |
21.0 |
nM |
398.56 |
CCCCNc1ncc(-c2ccc(CN(C)C)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097236 |
single protein format |
CHEMBL3092797 |
OBDepict
CH
3
HN
N
N
NH
N
H
H
HO
HN
OH
|
IC50 |
= |
21.0 |
nM |
414.55 |
CCCCNc1ncc(-c2ccc(CNCCO)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097236 |
single protein format |
CHEMBL4283152 |
OBDepict
CH
3
N
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
22.0 |
nM |
462.64 |
CCCCNc1ncc2c(-c3ccc(N4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL2036805 |
OBDepict
H
N
N
H
NH
2
N
N
H
N
N
N
NH
|
IC50 |
= |
22.0 |
nM |
525.71 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)nc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037932 |
single protein format |
CHEMBL3967759 |
OBDepict
OH
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
22.0 |
nM |
518.75 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCC(O)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL3092793 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
OH
NH
O
N
H
3
C
|
IC50 |
= |
24.0 |
nM |
481.65 |
CCCCNc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097236 |
single protein format |
CHEMBL4293116 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
N
N
H
HO
NH
|
IC50 |
= |
24.0 |
nM |
451.62 |
CCC[C@H](C)Nc1ncc2c(-c3cnn(C4CCNCC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL3092795 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
OH
NH
|
IC50 |
= |
24.0 |
nM |
452.65 |
CCCCNc1ncc(-c2ccc(CNC3CCCCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097236 |
single protein format |
CHEMBL3910520 |
OBDepict
OH
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
25.0 |
nM |
490.7 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL4295042 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
H
NH
|
IC50 |
= |
26.0 |
nM |
476.67 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(NC4CCNCC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4284541 |
OBDepict
H
3
C
NH
N
N
N
H
H
OH
N
N
CH
3
|
IC50 |
= |
27.0 |
nM |
502.71 |
CCCCNc1ncc2c(-c3ccc(C4(N5CCN(C)CC5)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL3092792 |
OBDepict
H
3
C
N
H
N
N
HN
N
H
S
H
OH
N
O
O
O
|
IC50 |
= |
28.0 |
nM |
490.63 |
CCCCNc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097236 |
single protein format |
CHEMBL2018015 |
OBDepict
NH
2
N
N
N
NH
2
N
H
O
CH
3
H
3
C
NH
|
IC50 |
= |
28.0 |
nM |
431.54 |
CC(C)(NC(=O)c1nc(-c2cccc(-c3ccc(N)nc3)c2)cnc1N)C1CCNCC1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL4288213 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
29.0 |
nM |
490.7 |
CCC[C@H](C)Nc1ncc2c(-c3cccc(CN4CCN(C)CC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL2018023 |
OBDepict
H
3
C
N
N
N
N
CH
3
NH
2
N
H
O
H
HO
|
IC50 |
= |
30.0 |
nM |
458.57 |
Cc1cc(-c2cnn(C)c2)cc(-c2cnc(N)c(C(=O)N[C@H]3C4CC5CC3C[C@@](O)(C5)C4)n2)c1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL2018025 |
OBDepict
H
3
C
N
N
N
N
NH
2
N
H
O
H
HO
|
IC50 |
= |
30.0 |
nM |
458.57 |
CCn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4C5CC6CC4C[C@@](O)(C6)C5)n3)c2)cn1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL3932614 |
OBDepict
OH
N
N
HN
N
N
N
H
3
C
|
IC50 |
= |
31.0 |
nM |
504.72 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL4878774 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
N
H
HO
NH
|
IC50 |
= |
33.0 |
nM |
482.72 |
CCC[C@H](C)Nc1ncc2c(C3CCN(CC4CCNCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL3326004 |
OBDepict
CH
3
N
H
N
N
N
H
F
H
OH
S
N
O
O
N
CH
3
|
IC50 |
= |
33.0 |
nM |
544.7 |
CCCCNc1ncc2c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)c(F)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL3363357 |
single protein format |
CHEMBL4284392 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
F
H
OH
S
N
O
O
N
CH
3
|
IC50 |
= |
33.0 |
nM |
558.72 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3F)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL3092796 |
OBDepict
CH
3
NH
N
N
HN
N
H
H
OH
HN
|
IC50 |
= |
33.0 |
nM |
410.57 |
CCCCNc1ncc(-c2ccc(CNC3CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097236 |
single protein format |
CHEMBL4291006 |
OBDepict
CH
3
N
H
N
N
N
H
H
OH
N
H
HN
|
IC50 |
= |
34.0 |
nM |
462.64 |
CCCCNc1ncc2c(-c3ccc(NC4CCNCC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL2018014 |
OBDepict
CH
3
O
N
N
N
NH
2
HN
O
CH
3
CH
3
N
H
|
IC50 |
= |
34.0 |
nM |
446.56 |
COc1cncc(-c2cccc(-c3cnc(N)c(C(=O)NC(C)(C)C4CCNCC4)n3)c2)c1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL2312292 |
OBDepict
CH
3
O
OH
N
H
N
N
HN
N
H
O
N
O
|
IC50 |
= |
35.0 |
nM |
496.61 |
COc1cc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)ccc1O |
Homo sapiens |
CHEMBL2319403 |
single protein format |
CHEMBL3092790 |
OBDepict
CH
3
N
H
N
N
HN
N
H
H
HO
N
F
F
|
IC50 |
= |
36.0 |
nM |
474.6 |
CCCCNc1ncc(-c2ccc(CN3CCC(F)(F)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097236 |
single protein format |
CHEMBL2312318 |
OBDepict
CH
3
O
N
H
N
N
HN
N
H
O
N
O
|
IC50 |
= |
37.0 |
nM |
480.61 |
COc1cccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1 |
Homo sapiens |
CHEMBL2319403 |
single protein format |
CHEMBL3946971 |
OBDepict
HO
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
38.0 |
nM |
518.75 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL3973561 |
OBDepict
H
3
C
N
N
N
N
N
N
H
H
NH
2
O
NH
|
IC50 |
= |
39.0 |
nM |
490.66 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCNC(=O)[C@@H](N)CCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL4850498 |
OBDepict
CH
3
HN
H
3
C
H
N
N
N
H
NH
H
HO
|
IC50 |
= |
39.0 |
nM |
385.56 |
CCC[C@H](C)Nc1ncc2c(C3CCNCC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL2018022 |
OBDepict
H
3
C
N
N
N
N
NH
2
HN
O
H
HO
|
IC50 |
= |
40.0 |
nM |
444.54 |
Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4C5CC6CC4C[C@@](O)(C6)C5)n3)c2)cn1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL1835071 |
OBDepict
CH
3
NH
N
N
N
H
O
NH
2
H
H
NH
2
O
|
IC50 |
= |
40.0 |
nM |
342.4 |
Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1 |
Homo sapiens |
CHEMBL3705243 |
single protein format |
CHEMBL2018027 |
OBDepict
H
3
C
N
N
N
N
H
2
N
NH
O
H
HO
|
IC50 |
= |
40.0 |
nM |
472.59 |
CCCn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4C5CC6CC4C[C@@](O)(C6)C5)n3)c2)cn1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL2018028 |
OBDepict
O
N
H
N
H
2
N
N
H
OH
N
N
CH
3
H
3
C
|
IC50 |
= |
40.0 |
nM |
472.59 |
CC(C)n1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4C5CC6CC4C[C@@](O)(C6)C5)n3)c2)cn1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL2018032 |
OBDepict
H
2
N
O
N
N
N
N
H
2
N
NH
O
H
HO
|
IC50 |
= |
40.0 |
nM |
487.56 |
NC(=O)Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4C5CC6CC4C[C@@](O)(C6)C5)n3)c2)cn1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL2312648 |
OBDepict
CH
3
N
N
H
O
N
NH
N
N
H
N
Cl
CH
3
H
3
C
Cl
|
IC50 |
= |
41.0 |
nM |
534.54 |
CN1CCC(NC(=O)c2cnc(NCc3cc(Cl)ccc3Cl)nc2NC2CCC(N(C)C)CC2)CC1 |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL4584949 |
OBDepict
O
N
H
N
O
F
NH
N
N
O
CH
3
F
|
IC50 |
= |
41.1 |
nM |
539.54 |
Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc21 |
Homo sapiens |
CHEMBL4376522 |
assay format |
CHEMBL2018013 |
OBDepict
O
N
H
N
NH
2
N
CH
3
CH
3
N
H
N
H
N
|
IC50 |
= |
42.0 |
nM |
379.47 |
CC(C)(NC(=O)c1nc(-c2cccc3cn[nH]c23)cnc1N)C1CCNCC1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL4877347 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
H
3
C
N
CH
3
|
IC50 |
= |
42.0 |
nM |
518.71 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL2312655 |
OBDepict
Cl
N
H
Cl
N
N
HN
H
N
O
H
OH
|
IC50 |
= |
44.0 |
nM |
418.28 |
O[C@@H]1COC[C@H]1Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cccnc1 |
Homo sapiens |
CHEMBL2318063 |
single protein format |
CHEMBL3976261 |
OBDepict
CH
3
N
N
N
N
N
NH
HO
|
IC50 |
= |
44.0 |
nM |
504.72 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCC(O)CCCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL3326005 |
OBDepict
CH
3
N
N
S
O
O
F
N
N
N
H
HN
H
HO
|
IC50 |
= |
45.0 |
nM |
556.71 |
CN1CCN(S(=O)(=O)c2ccc(-c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCCC5CC5)ncc34)c(F)c2)CC1 |
Homo sapiens |
CHEMBL3363357 |
single protein format |
CHEMBL4867544 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
|
IC50 |
= |
46.0 |
nM |
490.65 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccncc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL4877058 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
H
3
C
|
IC50 |
= |
48.0 |
nM |
510.73 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)C4CCN(C)CC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL2036808 |
OBDepict
CH
3
NH
N
N
N
N
H
F
H
NH
2
|
IC50 |
= |
48.0 |
nM |
396.51 |
CCCCNc1ncc2c(-c3ccc(F)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037932 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
48.99 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL1211285 |
single protein format |
CHEMBL3984314 |
OBDepict
OH
N
N
HN
N
N
N
H
3
C
|
IC50 |
= |
49.0 |
nM |
532.78 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCC(O)CCCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL4878118 |
OBDepict
CH
3
N
H
CH
3
H
N
N
N
H
N
H
OH
HN
|
IC50 |
= |
50.0 |
nM |
468.69 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C4CCNCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL4284846 |
OBDepict
H
3
C
N
H
H
3
C
H
N
N
N
H
N
H
HO
O
O
CH
3
|
IC50 |
= |
50.0 |
nM |
437.54 |
CCC[C@H](C)Nc1ncc2c(-c3ccnc(C(=O)OC)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276334 |
single protein format |
CHEMBL4476226 |
OBDepict
H
3
C
N
O
N
N
H
N
N
N
F
F
F
N
S
H
3
C
O
O
H
3
C
|
IC50 |
= |
50.0 |
nM |
589.64 |
CC(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(N4Cc5cccc(N(C)S(C)(=O)=O)c5C4)n3)cc2)CC1 |
Homo sapiens |
CHEMBL4326654 |
single protein format |
CHEMBL2018026 |
OBDepict
O
N
H
N
NH
2
N
H
OH
N
N
F
F
F
|
IC50 |
= |
50.0 |
nM |
512.54 |
Nc1ncc(-c2cccc(-c3cnn(CC(F)(F)F)c3)c2)nc1C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL2018024 |
OBDepict
H
3
C
O
N
N
N
N
CH
3
NH
2
N
H
O
H
HO
|
IC50 |
= |
50.0 |
nM |
474.57 |
COc1cc(-c2cnn(C)c2)cc(-c2cnc(N)c(C(=O)N[C@H]3C4CC5CC3C[C@@](O)(C5)C4)n2)c1 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL2018020 |
OBDepict
H
N
N
N
N
H
2
N
NH
O
H
HO
|
IC50 |
= |
50.0 |
nM |
430.51 |
Nc1ncc(-c2cccc(-c3cn[nH]c3)c2)nc1C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |
Homo sapiens |
CHEMBL2019768 |
single protein format |
CHEMBL4857561 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
N
H
HO
O
H
N
H
3
C
|
IC50 |
= |
51.0 |
nM |
510.73 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)[C@@H]4CCCCN4C)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL3951096 |
OBDepict
HO
N
N
H
N
N
N
N
CH
3
|
IC50 |
= |
53.0 |
nM |
462.64 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCC(O)CCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL4862333 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
CH
3
|
IC50 |
= |
54.0 |
nM |
504.68 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccnc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL3948030 |
OBDepict
OH
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
54.0 |
nM |
504.72 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCC(O)CCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL3938180 |
OBDepict
H
3
C
N
N
N
N
N
HN
OH
|
IC50 |
= |
57.0 |
nM |
490.7 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCC(O)CCCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865274 |
single protein format |
CHEMBL3092800 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
H
2
N
|
IC50 |
= |
58.0 |
nM |
354.5 |
CCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](CN)CC2)n1 |
Homo sapiens |
CHEMBL3097236 |
single protein format |
CHEMBL4857351 |
OBDepict
CH
3
H
H
N
H
N
N
N
H
N
H
OH
O
H
3
C
N
CH
3
|
IC50 |
= |
59.0 |
nM |
516.69 |
CC[C@H]1C[C@@H]1Nc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838704 |
single protein format |
CHEMBL2018147 |
OBDepict
HO
N
N
N
N
H
2
N
NH
O
H
OH
|
IC50 |
= |
60.0 |
nM |
474.57 |
Nc1ncc(-c2cccc(-c3cnn(CCO)c3)c2)nc1C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |
Homo sapiens |
CHEMBL2019768 |
single protein format |