molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855542 |
|
IC50 |
= |
-28800.0 |
nM |
372.45 |
Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804433 |
cell-based format |
CHEMBL4860979 |
OBDepict
F
S
N
O
O
CH
3
N
H
2
N
O
N
H
|
IC50 |
= |
-9100.0 |
nM |
466.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4804433 |
cell-based format |
CHEMBL4571548 |
OBDepict
CH
3
CH
3
S
N
H
O
O
N
H
N
HN
O
|
Ki |
= |
78.0 |
nM |
412.52 |
CC(C)CS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4470026 |
OBDepict
CH
3
N
S
CH
3
NH
O
O
N
H
N
N
H
O
|
Ki |
= |
86.0 |
nM |
427.53 |
CCN(C)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4534959 |
OBDepict
O
N
H
N
N
H
HN
S
O
O
|
Ki |
= |
91.0 |
nM |
410.5 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)CC4CC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
100.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804433 |
cell-based format |
CHEMBL4877883 |
OBDepict
O
NH
N
N
Cl
N
N
H
N
N
CH
3
|
IC50 |
= |
107.0 |
nM |
435.92 |
Cn1ncc2cc(-c3cnc4[nH]nc(Cl)c4c3N3CCC4(CCNC4=O)CC3)ccc21 |
Homo sapiens |
CHEMBL4828668 |
assay format |
CHEMBL4552310 |
OBDepict
CH
3
S
N
H
O
O
N
H
N
HN
O
|
Ki |
= |
110.0 |
nM |
398.49 |
CCCS(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4542463 |
OBDepict
O
N
H
N
N
H
N
H
S
O
O
|
Ki |
= |
150.0 |
nM |
424.53 |
O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CC4CC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4582326 |
OBDepict
O
HN
N
N
H
N
H
S
O
O
F
F
F
|
Ki |
= |
180.0 |
nM |
452.46 |
O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CC(F)(F)F)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4447403 |
OBDepict
O
HN
N
N
H
N
H
S
O
O
F
F
F
|
Ki |
= |
180.0 |
nM |
466.49 |
O=C(Nc1n[nH]c2cc(-c3cccc(CNS(=O)(=O)CCC(F)(F)F)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4472438 |
OBDepict
CH
3
N
S
NH
O
O
N
H
N
N
H
O
H
3
C
|
Ki |
= |
220.0 |
nM |
441.56 |
CCN(CC)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
235.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328613 |
single protein format |
CHEMBL4535040 |
OBDepict
O
N
H
N
N
H
HN
S
O
O
|
Ki |
= |
240.0 |
nM |
410.5 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4452939 |
OBDepict
CH
3
N
S
N
H
O
O
N
H
N
HN
O
CH
3
|
Ki |
= |
270.0 |
nM |
427.53 |
CCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4561238 |
OBDepict
O
HN
N
N
H
NH
S
N
O
O
CH
3
F
F
F
|
Ki |
= |
290.0 |
nM |
481.5 |
CN(CC(F)(F)F)S(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4531680 |
OBDepict
CH
3
N
S
CH
3
N
H
O
O
N
H
N
HN
O
|
Ki |
= |
310.0 |
nM |
413.5 |
CCN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4516665 |
OBDepict
O
N
H
N
N
H
N
H
S
O
O
|
Ki |
= |
330.0 |
nM |
396.47 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4452360 |
OBDepict
O
HN
N
N
H
N
H
S
N
O
O
H
3
C
CH
3
|
Ki |
= |
350.0 |
nM |
399.48 |
CN(C)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4534571 |
OBDepict
O
N
H
N
N
H
NH
S
O
O
F
|
Ki |
= |
430.0 |
nM |
464.52 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4ccc(F)cc4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4522276 |
OBDepict
H
3
C
CH
3
S
HN
O
O
N
H
N
N
H
O
|
Ki |
= |
450.0 |
nM |
426.54 |
CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4473140 |
OBDepict
O
N
H
N
N
H
N
H
S
O
O
F
|
Ki |
= |
470.0 |
nM |
464.52 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4ccccc4F)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4593649 |
OBDepict
O
N
H
N
N
H
NH
S
O
O
F
|
Ki |
= |
510.0 |
nM |
464.52 |
O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)Cc4cccc(F)c4)c3)ccc12)C1CC1 |
Homo sapiens |
CHEMBL4345186 |
assay format |
CHEMBL4069365 |
OBDepict
O
N
H
O
H
3
C
CH
3
N
H
N
N
NH
O
F
F
F
|
IC50 |
= |
885.0 |
nM |
421.38 |
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc21 |
Homo sapiens |
CHEMBL4007747 |
single protein format |