molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4868141 |
|
IC50 |
= |
-7200.0 |
nM |
532.67 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804735 |
cell-based format |
CHEMBL4867931 |
OBDepict
H
3
C
O
N
H
S
N
O
O
H
2
N
O
HN
|
IC50 |
= |
-5400.0 |
nM |
464.55 |
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 |
Homo sapiens |
CHEMBL4804735 |
cell-based format |
CHEMBL4763562 |
OBDepict
O
N
H
HN
N
N
N
N
N
CH
3
H
3
C
|
IC50 |
= |
200.8 |
nM |
373.42 |
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1 |
Homo sapiens |
CHEMBL4686915 |
single protein format |
CHEMBL4764071 |
OBDepict
HO
N
CH
3
H
N
N
N
N
H
N
H
O
N
|
IC50 |
= |
264.4 |
nM |
389.42 |
C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2nccc3ccccc23)n1 |
Homo sapiens |
CHEMBL4686915 |
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 |
= |
475.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328494 |
single protein format |
CHEMBL2205637 |
OBDepict
O
N
H
N
N
CH
3
CH
3
CH
3
N
N
ClH
|
IC50 |
= |
510.0 |
nM |
395.89 |
CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1.Cl |
Homo sapiens |
CHEMBL2214714 |
single protein format |
CHEMBL4759182 |
OBDepict
O
N
H
HN
N
N
N
N
N
N
N
H
N
CH
3
H
3
C
|
IC50 |
= |
742.4 |
nM |
364.37 |
CC(C)n1cnnc1-c1cccc(NC(=O)Nc2ncc3[nH]cnc3n2)n1 |
Homo sapiens |
CHEMBL4686915 |
single protein format |