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 |
CHEMBL4804743 |
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 |
CHEMBL4804743 |
cell-based format |
CHEMBL2036807 |
OBDepict
H
N
N
H
NH
2
N
N
H
N
N
NH
|
IC50 |
= |
0.15 |
nM |
524.72 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037930 |
cell-based 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 |
= |
0.19 |
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 |
CHEMBL4838730 |
single protein format |
CHEMBL2036806 |
OBDepict
H
3
C
N
H
N
N
N
N
H
N
H
H
2
N
NH
|
IC50 |
= |
0.25 |
nM |
462.65 |
CCCCNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037930 |
cell-based format |
CHEMBL3326002 |
OBDepict
CH
3
N
H
N
N
N
N
H
H
OH
S
N
O
O
O
|
Ki |
= |
0.33 |
nM |
514.65 |
CCCCNc1ncc2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL3363336 |
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 |
= |
0.43 |
nM |
504.72 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL2036807 |
OBDepict
H
N
N
H
NH
2
N
N
H
N
N
NH
|
Ki |
= |
0.56 |
nM |
524.72 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037935 |
single protein format |
CHEMBL3326004 |
OBDepict
CH
3
N
H
N
N
N
H
F
H
OH
S
N
O
O
N
CH
3
|
IC50 |
= |
0.57 |
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 |
CHEMBL3363336 |
single protein format |
CHEMBL3092795 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
OH
NH
|
IC50 |
= |
0.69 |
nM |
452.65 |
CCCCNc1ncc(-c2ccc(CNC3CCCCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL3092793 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
OH
NH
O
N
H
3
C
|
IC50 |
= |
0.69 |
nM |
481.65 |
CCCCNc1ncc(-c2ccc(C(=O)NC3CCN(C)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL3092792 |
OBDepict
H
3
C
N
H
N
N
HN
N
H
S
H
OH
N
O
O
O
|
IC50 |
= |
0.7 |
nM |
490.63 |
CCCCNc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL2036806 |
OBDepict
H
3
C
N
H
N
N
N
N
H
N
H
H
2
N
NH
|
Ki |
= |
0.73 |
nM |
462.65 |
CCCCNc1ncc2c(-c3ccc(N4CCNCC4)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037935 |
single protein format |
CHEMBL3326006 |
OBDepict
CH
3
N
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
0.74 |
nM |
476.67 |
CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL3363336 |
single protein format |
CHEMBL2036805 |
OBDepict
H
N
N
H
NH
2
N
N
H
N
N
N
NH
|
IC50 |
= |
0.76 |
nM |
525.71 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)nc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037930 |
cell-based format |
CHEMBL3964573 |
OBDepict
CH
3
N
N
N
N
N
NH
H
H
2
N
O
HN
|
IC50 |
= |
0.8 |
nM |
560.79 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL3092797 |
OBDepict
CH
3
HN
N
N
NH
N
H
H
HO
HN
OH
|
IC50 |
= |
0.81 |
nM |
414.55 |
CCCCNc1ncc(-c2ccc(CNCCO)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
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 |
= |
0.9 |
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 |
CHEMBL4838702 |
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 |
= |
0.9 |
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 |
CHEMBL4838702 |
single protein format |
CHEMBL495727 |
OBDepict
O
NH
NH
N
N
H
N
N
H
N
O
|
IC50 |
= |
1.0 |
nM |
381.44 |
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 |
Homo sapiens |
CHEMBL1009901 |
single protein format |
CHEMBL3326002 |
OBDepict
CH
3
N
H
N
N
N
N
H
H
OH
S
N
O
O
O
|
IC50 |
= |
1.1 |
nM |
514.65 |
CCCCNc1ncc2c(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL3363336 |
single protein format |
CHEMBL3092790 |
OBDepict
CH
3
N
H
N
N
HN
N
H
H
HO
N
F
F
|
IC50 |
= |
1.1 |
nM |
474.6 |
CCCCNc1ncc(-c2ccc(CN3CCC(F)(F)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL4289301 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
N
H
OH
HN
|
IC50 |
= |
1.2 |
nM |
463.63 |
CCC[C@H](C)Nc1ncc2c(-c3ccnc(N4CCNCC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL4866538 |
OBDepict
H
3
C
N
H
N
N
N
H
N
H
HO
O
CH
3
N
CH
3
|
IC50 |
= |
1.2 |
nM |
504.68 |
CCCCNc1ncc2c(C3CCN(C(=O)c4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
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 |
= |
1.2 |
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 |
CHEMBL4838702 |
single protein format |
CHEMBL3092796 |
OBDepict
CH
3
NH
N
N
HN
N
H
H
OH
HN
|
IC50 |
= |
1.3 |
nM |
410.57 |
CCCCNc1ncc(-c2ccc(CNC3CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL3326007 |
OBDepict
CH
3
N
N
N
N
N
H
N
H
H
HO
|
IC50 |
= |
1.3 |
nM |
488.68 |
CN1CCN(Cc2ccc(-c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCCC5CC5)ncc34)cc2)CC1 |
Homo sapiens |
CHEMBL3363336 |
single protein format |
CHEMBL4284541 |
OBDepict
H
3
C
NH
N
N
N
H
H
OH
N
N
CH
3
|
IC50 |
= |
1.3 |
nM |
502.71 |
CCCCNc1ncc2c(-c3ccc(C4(N5CCN(C)CC5)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL4867544 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
|
IC50 |
= |
1.3 |
nM |
490.65 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccncc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL2036805 |
OBDepict
H
N
N
H
NH
2
N
N
H
N
N
N
NH
|
Ki |
= |
1.4 |
nM |
525.71 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(N4CCNCC4)nc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037935 |
single protein format |
CHEMBL4856976 |
OBDepict
CH
3
H
H
N
H
N
N
N
H
N
H
OH
O
H
3
C
N
CH
3
|
IC50 |
= |
1.5 |
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 |
CHEMBL4838702 |
single protein format |
CHEMBL3326005 |
OBDepict
CH
3
N
N
S
O
O
F
N
N
N
H
HN
H
HO
|
IC50 |
= |
1.6 |
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 |
CHEMBL3363336 |
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 |
= |
1.6 |
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 |
CHEMBL4838702 |
single protein format |
CHEMBL3092791 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
OH
N
CH
3
H
3
C
|
IC50 |
= |
1.7 |
nM |
398.56 |
CCCCNc1ncc(-c2ccc(CN(C)C)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL3910520 |
OBDepict
OH
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
1.8 |
nM |
490.7 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL3092799 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
NH
2
|
IC50 |
= |
1.8 |
nM |
340.48 |
CCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](N)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL2036804 |
OBDepict
H
3
C
N
H
N
N
N
N
H
N
N
H
H
2
N
NH
|
IC50 |
= |
1.8 |
nM |
463.63 |
CCCCNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037930 |
cell-based format |
CHEMBL4851097 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
N
|
IC50 |
= |
1.9 |
nM |
491.64 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccnnc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL4286701 |
OBDepict
H
3
C
HN
CH
3
H
N
N
N
H
H
HO
N
|
IC50 |
= |
2.0 |
nM |
487.69 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4C5CCC4CC5)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL2036809 |
OBDepict
F
N
N
N
N
H
HN
H
H
2
N
|
Ki |
= |
2.0 |
nM |
458.59 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037935 |
single protein format |
CHEMBL3093635 |
OBDepict
CH
3
N
H
N
N
NH
N
H
O
H
H
H
2
N
S
N
O
O
O
|
IC50 |
= |
2.1 |
nM |
531.68 |
CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N[C@H]2CC[C@H](N)CC2)n1 |
Homo sapiens |
CHEMBL3094776 |
single protein format |
CHEMBL4293116 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
N
N
H
HO
NH
|
IC50 |
= |
2.2 |
nM |
451.62 |
CCC[C@H](C)Nc1ncc2c(-c3cnn(C4CCNCC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL3892515 |
OBDepict
CH
3
N
N
N
N
N
N
H
H
H
2
N
O
NH
|
IC50 |
= |
2.2 |
nM |
532.74 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCNC(=O)[C@@H](N)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL4877792 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
N
|
IC50 |
= |
2.3 |
nM |
491.64 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cncnc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
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 |
= |
2.3 |
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 |
CHEMBL4838702 |
single protein format |
CHEMBL4878347 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
N
H
HO
CH
3
N
CH
3
|
IC50 |
= |
2.4 |
nM |
504.72 |
CCC[C@H](C)Nc1ncc2c(C3CCN(Cc4cc(C)nc(C)c4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
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 |
= |
2.5 |
nM |
506.74 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CNCCN(CC)CC)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL3967759 |
OBDepict
OH
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
2.6 |
nM |
518.75 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCC(O)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL4280761 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
N
CH
3
|
IC50 |
= |
2.6 |
nM |
504.72 |
CCCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL4850498 |
OBDepict
CH
3
HN
H
3
C
H
N
N
N
H
NH
H
HO
|
IC50 |
= |
2.6 |
nM |
385.56 |
CCC[C@H](C)Nc1ncc2c(C3CCNCC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL2036804 |
OBDepict
H
3
C
N
H
N
N
N
N
H
N
N
H
H
2
N
NH
|
Ki |
= |
2.7 |
nM |
463.63 |
CCCCNc1ncc2c(-c3ccc(N4CCNCC4)nc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037935 |
single protein format |
CHEMBL3092805 |
OBDepict
H
3
C
NH
N
N
HN
N
H
N
H
OH
N
H
3
C
|
IC50 |
= |
2.8 |
nM |
439.61 |
CCCCNc1ncc(-c2ccc(N3CCN(C)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL4847256 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
O
|
IC50 |
= |
2.8 |
nM |
497.68 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)C4CCOCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL2036808 |
OBDepict
CH
3
NH
N
N
N
N
H
F
H
NH
2
|
IC50 |
= |
2.9 |
nM |
396.51 |
CCCCNc1ncc2c(-c3ccc(F)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037930 |
cell-based format |
CHEMBL4849169 |
OBDepict
CH
3
N
H
3
C
N
O
N
N
N
H
NH
H
OH
|
IC50 |
= |
3.0 |
nM |
538.7 |
Cc1cc(C(=O)N2CCC(c3cn([C@H]4CC[C@H](O)CC4)c4nc(NCc5ccccc5)ncc34)CC2)cc(C)n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL3932614 |
OBDepict
OH
N
N
HN
N
N
N
H
3
C
|
IC50 |
= |
3.0 |
nM |
504.72 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL2036809 |
OBDepict
F
N
N
N
N
H
HN
H
H
2
N
|
IC50 |
= |
3.0 |
nM |
458.59 |
N[C@H]1CC[C@H](Cn2nc(-c3ccc(F)cc3)c3cnc(NCCCc4ccccc4)nc32)CC1 |
Homo sapiens |
CHEMBL2037930 |
cell-based format |
CHEMBL4875352 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
|
IC50 |
= |
3.0 |
nM |
490.65 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccccn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL4791998 |
OBDepict
F
N
H
O
HN
N
O
N
NH
ClH
|
IC50 |
= |
3.01 |
nM |
443.91 |
Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=NOCCN1CCNCC1 |
Homo sapiens |
CHEMBL4768792 |
single protein format |
CHEMBL4281432 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
N
H
HO
N
CH
3
|
IC50 |
= |
3.1 |
nM |
476.67 |
CCC[C@H](C)Nc1ncc2c(-c3cccc(N4CCN(C)CC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL3946971 |
OBDepict
HO
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
3.1 |
nM |
518.75 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCC(O)CCCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
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 |
= |
3.1 |
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 |
CHEMBL4838702 |
single protein format |
CHEMBL4291202 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
O
|
IC50 |
= |
3.2 |
nM |
477.65 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCOCC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL3092794 |
OBDepict
CH
3
HN
N
N
NH
N
H
N
H
H
HO
O
N
CH
3
|
IC50 |
= |
3.4 |
nM |
481.65 |
CCCCNc1ncc(-c2ccc(NC(=O)C3CCN(C)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL4854055 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
|
IC50 |
= |
3.4 |
nM |
490.65 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cccnc4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL4282624 |
OBDepict
H
3
C
N
H
CH
3
N
N
N
H
H
HO
N
N
CH
3
|
IC50 |
= |
3.5 |
nM |
490.7 |
CCCC(C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL4283152 |
OBDepict
CH
3
N
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
3.5 |
nM |
462.64 |
CCCCNc1ncc2c(-c3ccc(N4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
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 |
= |
3.5 |
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 |
CHEMBL4276332 |
single protein format |
CHEMBL4288009 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
N
CH
3
|
IC50 |
= |
3.6 |
nM |
518.75 |
CCCCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL3092806 |
OBDepict
CH
3
N
H
N
N
HN
N
H
H
HO
N
N
H
3
C
|
IC50 |
= |
3.9 |
nM |
453.64 |
CCCCNc1ncc(-c2ccc(CN3CCN(C)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL3973561 |
OBDepict
H
3
C
N
N
N
N
N
N
H
H
NH
2
O
NH
|
IC50 |
= |
3.9 |
nM |
490.66 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCNC(=O)[C@@H](N)CCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL4878774 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
N
H
HO
NH
|
IC50 |
= |
4.0 |
nM |
482.72 |
CCC[C@H](C)Nc1ncc2c(C3CCN(CC4CCNCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL3956694 |
OBDepict
HO
N
N
N
H
N
N
N
CH
3
|
IC50 |
= |
4.0 |
nM |
490.7 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCC(O)CCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL3951096 |
OBDepict
HO
N
N
H
N
N
N
N
CH
3
|
IC50 |
= |
4.1 |
nM |
462.64 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCC(O)CCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
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 |
= |
4.1 |
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 |
CHEMBL4276332 |
single protein format |
CHEMBL3938180 |
OBDepict
H
3
C
N
N
N
N
N
HN
OH
|
IC50 |
= |
4.1 |
nM |
490.7 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCC(O)CCCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL4878216 |
OBDepict
F
N
O
O
N
N
H
O
H
3
C
CH
3
F
O
N
N
N
O
|
IC50 |
< |
4.1 |
nM |
588.57 |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4c3CN(C(=O)C3CC3)C4)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O |
Homo sapiens |
CHEMBL4824952 |
single protein format |
CHEMBL3093648 |
OBDepict
H
3
C
NH
N
N
HN
N
H
O
H
H
OH
N
N
N
|
IC50 |
= |
4.1 |
nM |
468.61 |
CCCCNc1ncc(C(=O)NC2CCN(c3ncccn3)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3094776 |
single protein format |
CHEMBL4584949 |
OBDepict
O
N
H
N
O
F
NH
N
N
O
CH
3
F
|
IC50 |
= |
4.2 |
nM |
539.54 |
Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc21 |
Homo sapiens |
CHEMBL4376517 |
cell-based format |
CHEMBL4862062 |
OBDepict
H
3
C
NH
CH
3
H
N
N
N
H
N
H
OH
H
3
C
|
IC50 |
= |
4.2 |
nM |
399.58 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
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 |
= |
4.3 |
nM |
490.7 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL2036808 |
OBDepict
CH
3
NH
N
N
N
N
H
F
H
NH
2
|
Ki |
= |
4.3 |
nM |
396.51 |
CCCCNc1ncc2c(-c3ccc(F)cc3)nn(C[C@H]3CC[C@H](N)CC3)c2n1 |
Homo sapiens |
CHEMBL2037935 |
single protein format |
CHEMBL4067871 |
OBDepict
OH
N
H
H
N
OH
Cl
N
|
IC50 |
= |
4.4 |
nM |
467.96 |
OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(-c2ccc3cnccc3c2)c1)c1ccccc1 |
Homo sapiens |
CHEMBL4018642 |
single protein format |
CHEMBL4868941 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
S
|
IC50 |
= |
4.4 |
nM |
496.68 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cscn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL4290493 |
OBDepict
O
HN
H
H
2
N
HN
N
H
N
N
N
H
O
F
|
IC50 |
= |
4.4 |
nM |
471.58 |
N[C@H]1CCCCNc2nc(ncc2C(=O)NCc2ccc(F)cc2)NCCCCCCNC1=O |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL3092800 |
OBDepict
H
3
C
NH
N
N
HN
N
H
H
H
2
N
|
IC50 |
= |
4.5 |
nM |
354.5 |
CCCCNc1ncc(-c2ccccn2)c(N[C@H]2CC[C@H](CN)CC2)n1 |
Homo sapiens |
CHEMBL3097238 |
single protein format |
CHEMBL4875531 |
OBDepict
H
3
C
N
CH
3
N
O
N
N
N
H
HN
H
HO
H
3
C
H
|
IC50 |
= |
4.5 |
nM |
552.72 |
Cc1cc(C(=O)N2CCC(c3cn([C@H]4CC[C@H](O)CC4)c4nc(N[C@@H](C)c5ccccc5)ncc34)CC2)cc(C)n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL4853524 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
S
O
O
O
|
IC50 |
= |
4.6 |
nM |
533.74 |
CCC[C@H](C)Nc1ncc2c(C3CCN(S(=O)(=O)C4CCOCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL4878118 |
OBDepict
CH
3
N
H
CH
3
H
N
N
N
H
N
H
OH
HN
|
IC50 |
= |
4.8 |
nM |
468.69 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C4CCNCC4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL3984314 |
OBDepict
OH
N
N
HN
N
N
N
H
3
C
|
IC50 |
= |
4.9 |
nM |
532.78 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCCCC(O)CCCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
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 |
= |
4.9 |
nM |
437.54 |
CCC[C@H](C)Nc1ncc2c(-c3ccnc(C(=O)OC)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
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 |
= |
4.9 |
nM |
490.7 |
CCC[C@H](C)Nc1ncc2c(-c3cccc(CN4CCN(C)CC4)c3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL4295042 |
OBDepict
H
3
C
N
H
CH
3
H
N
N
N
H
H
HO
N
H
NH
|
IC50 |
= |
4.9 |
nM |
476.67 |
CCC[C@H](C)Nc1ncc2c(-c3ccc(NC4CCNCC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL3976261 |
OBDepict
CH
3
N
N
N
N
N
NH
HO
|
IC50 |
= |
5.0 |
nM |
504.72 |
CN1CCN(Cc2ccc(-c3cn4c5nc(ncc35)NCCCCCCC(O)CCCCC4)cc2)CC1 |
Homo sapiens |
CHEMBL3865272 |
single protein format |
CHEMBL4854618 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
N
|
IC50 |
= |
5.0 |
nM |
491.64 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4ccncn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL4287078 |
OBDepict
CH
3
CH
3
N
H
N
N
N
H
H
OH
N
N
H
3
C
|
IC50 |
= |
5.2 |
nM |
490.7 |
CCC(C)CNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL4851303 |
OBDepict
CH
3
HN
H
3
C
H
N
N
N
H
N
H
H
HO
|
IC50 |
= |
5.2 |
nM |
371.53 |
CCC[C@H](C)Nc1ncc2c(C3CCNC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |
CHEMBL3093755 |
OBDepict
H
3
C
NH
N
N
N
H
N
H
O
H
H
OH
S
O
O
NH
2
|
IC50 |
= |
5.2 |
nM |
476.6 |
CCCCNc1ncc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 |
Homo sapiens |
CHEMBL3094776 |
single protein format |
CHEMBL4291006 |
OBDepict
CH
3
N
H
N
N
N
H
H
OH
N
H
HN
|
IC50 |
= |
5.2 |
nM |
462.64 |
CCCCNc1ncc2c(-c3ccc(NC4CCNCC4)cc3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4276332 |
single protein format |
CHEMBL4873478 |
OBDepict
CH
3
N
H
H
3
C
H
N
N
N
H
N
H
OH
O
N
N
|
IC50 |
= |
5.5 |
nM |
491.64 |
CCC[C@H](C)Nc1ncc2c(C3CCN(C(=O)c4cnccn4)CC3)cn([C@H]3CC[C@H](O)CC3)c2n1 |
Homo sapiens |
CHEMBL4838702 |
single protein format |