molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL459505 |
|
IC50 |
= |
0.46 |
nM |
377.52 |
CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 |
Homo sapiens |
CHEMBL3789263 |
cell-based format |
CHEMBL389433 |
OBDepict
Cl
N
N
N
N
H
|
IC50 |
= |
18.0 |
nM |
308.77 |
Clc1cccc(C(c2ccc3nc[nH]c3c2)n2ccnc2)c1 |
Homo sapiens |
CHEMBL3789263 |
cell-based format |
CHEMBL309282 |
OBDepict
O
CH
3
H
3
C
H
3
C
CH
3
O
OH
|
IC50 |
= |
520.0 |
nM |
386.49 |
CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc4cc(C(=O)O)ccc4c3)ccc21 |
Homo sapiens |
CHEMBL3789263 |
cell-based format |
CHEMBL3787323 |
OBDepict
OH
O
S
S
CH
3
CH
3
H
3
C
H
3
C
|
IC50 |
= |
680.0 |
nM |
440.67 |
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(CCC(=O)O)cc4)SCCS3)ccc21 |
Homo sapiens |
CHEMBL3789263 |
cell-based format |
CHEMBL3787564 |
OBDepict
O
O
CH
3
CH
3
H
3
C
H
3
C
O
OH
|
IC50 |
= |
930.0 |
nM |
366.46 |
CC1(C)CCC(C)(C)c2cc(C(=O)COc3ccc(C(=O)O)cc3)ccc21 |
Homo sapiens |
CHEMBL3789263 |
cell-based format |