molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL476141 |
|
IC50 |
= |
6.0 |
nM |
468.6 |
Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 |
Homo sapiens |
CHEMBL987300 |
cell-based format |
CHEMBL476351 |
OBDepict
H
3
C
N
H
O
NH
O
N
N
O
|
IC50 |
= |
27.0 |
nM |
470.57 |
Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 |
Homo sapiens |
CHEMBL987300 |
cell-based format |
CHEMBL478649 |
OBDepict
O
HN
CH
3
N
H
O
|
IC50 |
= |
53.0 |
nM |
348.45 |
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 |
Homo sapiens |
CHEMBL987300 |
cell-based format |
CHEMBL103667 |
OBDepict
O
HN
N
H
N
N
CH
3
CH
3
CH
3
O
H
3
C
N
O
|
IC50 |
= |
58.0 |
nM |
527.67 |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL987300 |
cell-based format |
CHEMBL477583 |
OBDepict
H
3
C
NH
O
NH
O
O
|
IC50 |
= |
88.0 |
nM |
374.44 |
Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)NCC2CC2)cc1 |
Homo sapiens |
CHEMBL987300 |
cell-based format |
CHEMBL95692 |
OBDepict
CH
3
O
N
N
N
N
NH
F
|
IC50 |
= |
160.0 |
nM |
353.4 |
COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1 |
Homo sapiens |
CHEMBL987300 |
cell-based format |
CHEMBL1935538 |
OBDepict
H
3
C
CH
3
O
N
N
H
S
CH
3
O
O
CH
3
O
O
O
|
IC50 |
= |
200.0 |
nM |
482.56 |
Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(C)S(C)(=O)=O)c1 |
Homo sapiens |
CHEMBL3587752 |
single protein format |