molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855730 |
|
IC50 |
= |
-72100.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804477 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
1.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3108317 |
single protein format |
CHEMBL3218297 |
OBDepict
CH
3
S
O
O
HO
O
N
H
N
H
S
N
OH
N
|
IC50 |
< |
1.0 |
nM |
422.49 |
CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 |
Homo sapiens |
CHEMBL3224501 |
single protein format |
CHEMBL1214929 |
OBDepict
H
2
N
HN
N
N
N
|
IC50 |
= |
7.0 |
nM |
265.32 |
NCCNc1nc(-c2ccncc2)cc2cnccc12 |
Homo sapiens |
CHEMBL3387550 |
single protein format |
CHEMBL2147538 |
OBDepict
H
3
C
H
2
N
CH
3
NH
N
N
N
|
IC50 |
= |
35.0 |
nM |
293.37 |
CC(C)(N)CNc1nc(-c2ccncc2)cc2cnccc12 |
Homo sapiens |
CHEMBL3387550 |
single protein format |
CHEMBL3338837 |
OBDepict
H
3
C
H
2
N
CH
3
NH
N
N
N
N
|
IC50 |
= |
99.0 |
nM |
294.36 |
CC(C)(N)CNc1nc(-c2ccncc2)nc2cnccc12 |
Homo sapiens |
CHEMBL3387550 |
single protein format |
CHEMBL4568087 |
OBDepict
H
3
C
N
N
N
N
N
S
N
H
O
H
H
H
2
N
|
IC50 |
= |
250.0 |
nM |
421.53 |
Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 |
Homo sapiens |
CHEMBL4479766 |
assay format |
CHEMBL1945559 |
OBDepict
N
HN
N
O
CH
3
HN
Cl
Cl
|
IC50 |
= |
310.0 |
nM |
363.25 |
Cn1c2c(c3ccc(Cl)c(Cl)c31)C(C#N)C1(CCNCC1)NC2=O |
Homo sapiens |
CHEMBL1947861 |
single protein format |
CHEMBL1990482 |
OBDepict
NH
2
O
N
N
H
N
|
Ki |
= |
540.0 |
nM |
238.25 |
NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12 |
Homo sapiens |
CHEMBL4628249 |
single protein format |
CHEMBL3338838 |
OBDepict
H
N
N
N
N
N
H
N
NH
2
CH
3
H
3
C
|
IC50 |
= |
547.0 |
nM |
333.4 |
CC(C)(N)CNc1nc(-c2ccc3[nH]ncc3c2)nc2cnccc12 |
Homo sapiens |
CHEMBL3387550 |
single protein format |
CHEMBL3338840 |
OBDepict
H
N
N
N
N
N
HN
|
IC50 |
= |
990.0 |
nM |
330.4 |
c1ccc2c(N3CCNCC3)nc(-c3ccc4[nH]ncc4c3)nc2c1 |
Homo sapiens |
CHEMBL3387550 |
single protein format |