molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
1.58 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328513 |
single protein format |
CHEMBL4538300 |
OBDepict
H
2
N
N
N
N
O
N
H
S
N
O
O
D
D
D
|
IC50 |
< |
10.0 |
nM |
453.54 |
[2H]C([2H])([2H])N(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)nc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4522154 |
OBDepict
H
2
N
N
N
D
D
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
451.55 |
[2H]C1([2H])CNC(=O)c2ccc(-c3nc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4)cnc3N)cc21 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4589546 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
D
D
D
|
IC50 |
< |
10.0 |
nM |
452.55 |
[2H]C([2H])([2H])N(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4527940 |
OBDepict
H
2
N
N
O
O
N
H
S
H
H
3
C
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
478.57 |
C[C@@H]1COc2cc(-c3cc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4)cnc3N)ccc2C(=O)N1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4589678 |
OBDepict
H
2
N
N
O
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
464.55 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)OCCNC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4532233 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
D
D
D
D
D
D
|
IC50 |
< |
10.0 |
nM |
429.53 |
[2H]C([2H])([2H])N(C([2H])([2H])[2H])S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4519910 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
449.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cn1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4582133 |
OBDepict
H
2
N
N
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
434.52 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4517471 |
OBDepict
H
2
N
N
N
CH
3
H
3
C
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
477.59 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)C(C)(C)CNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4589085 |
OBDepict
H
2
N
N
N
N
H
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
450.52 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc1-c1ccc2c(c1)NCCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4529393 |
OBDepict
CH
3
HN
NH
O
N
H
2
N
N
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
478.58 |
CC1CNc2cc(-c3nc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4)cnc3N)ccc2C(=O)N1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4589543 |
OBDepict
H
2
N
N
O
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
450.52 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1-c1ccc2c(c1)OCCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4570028 |
OBDepict
H
2
N
N
N
O
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
451.51 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc1-c1ccc2c(c1)OCCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4541224 |
OBDepict
H
2
N
N
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
448.55 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1-c1ccc2c(c1)CCCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4545576 |
OBDepict
CH
3
HN
N
N
H
2
N
O
HN
|
IC50 |
< |
10.0 |
nM |
385.47 |
CNC1(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)n3)cc2)CC1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4589056 |
OBDepict
H
2
N
N
CH
3
CH
3
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
462.58 |
CC1(C)CNC(=O)c2ccc(-c3cc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cnc3N)cc21 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4552248 |
OBDepict
N
N
N
NH
2
H
3
C
CH
3
O
NH
|
IC50 |
< |
10.0 |
nM |
409.49 |
CC1(C)CNC(=O)c2ccc(-c3nc(-c4ccc(C5(C#N)CC5)cc4)cnc3N)cc21 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4587624 |
OBDepict
H
2
N
N
N
CH
3
CH
3
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
463.56 |
CC1(C)CNC(=O)c2ccc(-c3nc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cnc3N)cc21 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4519532 |
OBDepict
CH
3
N
S
CH
3
O
O
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
437.53 |
CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)nc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4566298 |
OBDepict
CH
3
N
S
O
O
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
477.59 |
CCN(CC1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4517846 |
OBDepict
H
2
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
462.58 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCCNC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4555746 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
463.56 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4544123 |
OBDepict
N
N
N
H
2
N
O
HN
|
IC50 |
< |
10.0 |
nM |
409.49 |
N#CC1(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)n3)cc2)CCCC1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4563680 |
OBDepict
H
2
N
N
N
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
435.51 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cn2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4524264 |
OBDepict
H
2
N
N
O
N
S
H
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
446.53 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(=O)[nH]ccc4c3)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4519751 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
H
3
C
H
H
H
3
C
|
IC50 |
< |
10.0 |
nM |
463.56 |
C[C@@H]1C[C@H]1N(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4540527 |
OBDepict
NH
2
N
N
O
N
S
H
N
O
O
|
IC50 |
< |
10.0 |
nM |
461.55 |
Nc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1-c1ccc2c(=O)[nH]ccc2c1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4513255 |
OBDepict
CH
3
N
S
CH
3
O
O
N
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
438.51 |
CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)nc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4563010 |
OBDepict
H
2
N
N
N
F
O
N
H
S
N
O
O
H
3
C
|
IC50 |
< |
10.0 |
nM |
467.53 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1F |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4573561 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
463.56 |
CN(C1CCC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4519884 |
OBDepict
H
2
N
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
450.52 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)nc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4528370 |
OBDepict
CH
3
N
S
CH
3
O
O
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
451.55 |
CCCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)nc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4558309 |
OBDepict
CH
3
N
S
CH
3
O
O
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
437.53 |
CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4520019 |
OBDepict
H
2
N
N
N
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
435.51 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4573410 |
OBDepict
CH
3
N
S
CH
3
O
O
Cl
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
471.97 |
CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1Cl |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4577656 |
OBDepict
CH
3
N
S
CH
3
O
O
CH
3
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
451.55 |
CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1C |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4517841 |
OBDepict
N
O
N
N
H
2
N
CH
3
H
3
C
O
HN
|
IC50 |
< |
10.0 |
nM |
453.55 |
CC1(C)CNC(=O)c2ccc(-c3nc(-c4ccc(C5(C#N)CCOCC5)cc4)cnc3N)cc21 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4593402 |
OBDepict
CH
3
NH
S
O
O
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
423.5 |
CCNS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4575165 |
OBDepict
CH
3
N
S
CH
3
O
O
N
N
H
2
N
HO
N
|
IC50 |
< |
10.0 |
nM |
435.51 |
CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(O)nccc4c3)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4541121 |
OBDepict
H
2
N
N
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
448.55 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4539510 |
OBDepict
H
2
N
N
N
O
N
S
H
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
447.52 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(=O)[nH]ccc4c3)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4557650 |
OBDepict
H
2
N
N
Cl
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
468.97 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)c(Cl)c2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4534487 |
OBDepict
H
2
N
N
F
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)c(F)c2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4514310 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
449.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4567798 |
OBDepict
CH
2
N
S
CH
3
O
O
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
448.55 |
C=CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4536571 |
OBDepict
NH
2
N
H
3
C
O
N
H
S
N
O
O
H
3
C
|
IC50 |
< |
10.0 |
nM |
462.58 |
Cc1cc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)ccc1S(=O)(=O)N(C)C1CC1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4531840 |
OBDepict
H
3
C
N
S
H
3
C
O
O
Cl
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
486.0 |
CCCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1Cl |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4521893 |
OBDepict
H
2
N
N
N
D
D
O
N
H
S
N
O
O
D
D
D
|
IC50 |
< |
10.0 |
nM |
454.57 |
[2H]C1([2H])CNC(=O)c2ccc(-c3nc(-c4ccc(S(=O)(=O)N(C5CC5)C([2H])([2H])[2H])cc4)cnc3N)cc21 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4581541 |
OBDepict
NH
2
N
N
H
3
C
O
N
H
S
HN
O
O
|
IC50 |
< |
10.0 |
nM |
449.54 |
Cc1cc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)ncc1S(=O)(=O)NC1CC1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4559697 |
OBDepict
CH
3
N
S
CH
3
O
O
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
451.55 |
CCCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4579398 |
OBDepict
CH
3
N
S
CH
3
O
O
N
CH
3
N
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
452.54 |
CCN(C)S(=O)(=O)c1cnc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1C |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4558678 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
449.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)nc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4558755 |
OBDepict
N
O
N
H
2
N
CH
3
H
3
C
O
HN
|
IC50 |
< |
10.0 |
nM |
452.56 |
CC1(C)CNC(=O)c2ccc(-c3cc(-c4ccc(C5(C#N)CCOCC5)cc4)cnc3N)cc21 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4586008 |
OBDepict
D
D
N
S
O
O
N
N
H
2
N
O
N
H
D
D
D
|
IC50 |
< |
10.0 |
nM |
456.58 |
[2H]CC([2H])CN(C([2H])([2H])[2H])S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4528228 |
OBDepict
H
2
N
N
N
O
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
465.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)OCCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4545650 |
OBDepict
H
2
N
N
N
N
H
O
N
H
S
H
H
3
C
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
478.58 |
C[C@H]1CNc2cc(-c3nc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4)cnc3N)ccc2C(=O)N1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4562889 |
OBDepict
H
2
N
N
N
N
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
436.5 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc1-c1cc2c(cn1)C(=O)NCC2 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4519216 |
OBDepict
H
2
N
N
N
Br
OH
N
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
526.42 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(O)ncc(Br)c4c3)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4537088 |
OBDepict
N
N
N
H
2
N
N
O
HN
|
IC50 |
< |
10.0 |
nM |
342.36 |
N#Cc1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4518402 |
OBDepict
H
2
N
N
HN
O
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
460.56 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)C3(CC3)NC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4540982 |
OBDepict
F
N
N
H
2
N
N
O
HN
|
IC50 |
< |
10.0 |
nM |
335.34 |
Nc1ncc(-c2ccc(F)cc2)nc1-c1cc2c(cn1)C(=O)NCC2 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4540657 |
OBDepict
N
O
N
H
2
N
O
HN
|
IC50 |
< |
10.0 |
nM |
450.54 |
N#CC1(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)C4(CC4)CNC5=O)c3)cc2)CCOCC1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4582519 |
OBDepict
H
2
N
N
N
H
O
N
H
S
H
H
3
C
NH
O
O
|
IC50 |
< |
10.0 |
nM |
463.56 |
C[C@H]1CNc2cc(-c3cc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cnc3N)ccc2C(=O)N1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4566542 |
OBDepict
H
2
N
N
N
H
O
N
H
S
H
H
3
C
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
477.59 |
C[C@H]1CNc2cc(-c3cc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4)cnc3N)ccc2C(=O)N1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4525966 |
OBDepict
H
2
N
N
HN
O
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
446.53 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1-c1ccc2c(c1)C1(CC1)NC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4574634 |
OBDepict
CH
3
N
S
CH
3
O
O
N
H
2
N
O
N
H
|
IC50 |
< |
10.0 |
nM |
436.54 |
CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4544884 |
OBDepict
H
2
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
474.59 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)C3(CC3)CNC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4568551 |
OBDepict
H
2
N
N
H
3
C
H
3
C
HN
O
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
462.58 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)C(C)(C)NC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4588201 |
OBDepict
H
2
N
N
N
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
461.55 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc1-c1ccc2c(c1)C1(CC1)CNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4562813 |
OBDepict
NH
2
N
N
H
3
C
O
N
H
S
HN
O
O
|
IC50 |
< |
10.0 |
nM |
475.57 |
Cc1cc(-c2cnc(N)c(-c3ccc4c(c3)C3(CC3)CNC4=O)n2)ccc1S(=O)(=O)NC1CC1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4560693 |
OBDepict
NH
2
N
N
CH
3
CH
3
H
3
C
O
N
H
S
HN
O
O
|
IC50 |
< |
10.0 |
nM |
477.59 |
Cc1cc(-c2cnc(N)c(-c3ccc4c(c3)C(C)(C)CNC4=O)n2)ccc1S(=O)(=O)NC1CC1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4562957 |
OBDepict
H
2
N
N
N
D
D
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
437.52 |
[2H]C1([2H])CNC(=O)c2ccc(-c3nc(-c4ccc(S(=O)(=O)NC5CC5)cc4)cnc3N)cc21 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4554344 |
OBDepict
N
N
N
H
2
N
O
HN
|
IC50 |
< |
10.0 |
nM |
407.48 |
N#CC1(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)C4(CC4)CNC5=O)n3)cc2)CC1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4578506 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
475.57 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)C3(CC3)CNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4527289 |
OBDepict
H
2
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
449.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4581727 |
OBDepict
H
2
N
N
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
450.52 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4c(cn3)C(=O)NCC4)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4569367 |
OBDepict
H
2
N
N
N
N
H
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
464.55 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)NCCNC4=O)n2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4530305 |
OBDepict
OH
H
N
H
O
O
NH
2
N
S
N
O
O
H
3
C
|
IC50 |
< |
10.0 |
nM |
494.57 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)OC[C@H](CO)NC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4539101 |
OBDepict
H
2
N
N
O
N
H
S
NH
O
O
|
IC50 |
< |
10.0 |
nM |
460.56 |
Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cc1-c1ccc2c(c1)C1(CC1)CNC2=O |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4528460 |
OBDepict
H
2
N
N
N
H
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
463.56 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)NCCNC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4551067 |
OBDepict
H
2
N
N
O
N
H
S
N
O
O
CH
3
|
IC50 |
< |
10.0 |
nM |
448.55 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1 |
Homo sapiens |
CHEMBL4477069 |
single protein format |
CHEMBL4860789 |
OBDepict
NH
2
N
S
O
NH
N
H
O
O
|
IC50 |
= |
40.0 |
nM |
434.52 |
Nc1ncc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4854601 |
OBDepict
H
2
N
N
N
N
O
HN
CH
3
|
IC50 |
= |
40.0 |
nM |
369.43 |
Cn1cnc2c(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)c3)cccc21 |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4874985 |
OBDepict
F
+
N
O
_
O
N
NH
2
O
NH
|
IC50 |
= |
40.0 |
nM |
378.36 |
Nc1ncc(-c2cc(F)cc([N+](=O)[O-])c2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4874241 |
OBDepict
NH
2
N
F
+
N
O
NH
O
_
O
|
IC50 |
< |
40.0 |
nM |
378.36 |
Nc1ncc(-c2cc([N+](=O)[O-])ccc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4853037 |
OBDepict
H
2
N
N
F
+
N
F
O
HN
O
_
O
|
IC50 |
= |
40.0 |
nM |
396.35 |
Nc1ncc(-c2cc([N+](=O)[O-])cc(F)c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4869774 |
OBDepict
NH
2
N
F
+
N
O
NH
O
_
O
Cl
|
IC50 |
= |
40.0 |
nM |
412.81 |
Nc1ncc(-c2cc([N+](=O)[O-])c(Cl)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4875051 |
OBDepict
F
N
H
+
N
N
O
_
O
NH
2
O
NH
|
IC50 |
= |
40.0 |
nM |
483.5 |
Nc1ncc(-c2cc([N+](=O)[O-])c(NCc3ccccc3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4855542 |
OBDepict
NH
2
N
S
N
O
NH
|
IC50 |
< |
40.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4862095 |
OBDepict
NH
2
N
F
O
NH
|
IC50 |
= |
40.0 |
nM |
333.37 |
Nc1ncc(-c2ccccc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4846469 |
OBDepict
F
S
N
O
O
CH
3
N
H
2
N
O
N
H
3
C
|
IC50 |
< |
40.0 |
nM |
480.57 |
CN1CCc2cc(-c3cc(-c4ccc(S(=O)(=O)N(C)C5CC5)cc4F)cnc3N)ccc2C1=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4868360 |
OBDepict
NH
2
N
S
O
NH
|
IC50 |
< |
40.0 |
nM |
371.46 |
Nc1ncc(-c2cccc3sccc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4864132 |
OBDepict
H
3
C
O
CH
3
S
N
O
O
H
3
C
N
NH
2
N
H
O
|
IC50 |
< |
40.0 |
nM |
492.6 |
CC(C)Oc1cc(S(=O)(=O)N(C)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CNC3=O)c1 |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4847013 |
OBDepict
CH
3
O
H
3
C
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
< |
40.0 |
nM |
492.6 |
CC(C)Oc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4877076 |
OBDepict
CH
+
N
F
O
_
O
N
H
2
N
O
HN
|
IC50 |
= |
40.0 |
nM |
402.39 |
C#Cc1cc(F)c(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1[N+](=O)[O-] |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4851572 |
OBDepict
H
2
N
N
F
S
O
HN
N
|
IC50 |
= |
40.0 |
nM |
390.44 |
Nc1ncc(-c2cc3scnc3cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4859660 |
OBDepict
NH
2
N
F
+
N
O
NH
O
_
O
|
IC50 |
< |
40.0 |
nM |
378.36 |
Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4868315 |
OBDepict
NH
2
N
S
Cl
N
O
NH
|
IC50 |
= |
40.0 |
nM |
356.84 |
Nc1ncc(-c2scnc2Cl)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804306 |
single protein format |
CHEMBL4879343 |
OBDepict
N
N
H
2
N
O
HN
|
IC50 |
= |
40.0 |
nM |
340.39 |
N#Cc1cccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c1 |
Homo sapiens |
CHEMBL4804306 |
single protein format |