molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
66.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4034785 |
cell-based format |
CHEMBL515631 |
OBDepict
CH
3
O
N
OH
N
H
O
N
H
O
H
3
C
H
3
C
CH
3
|
IC50 |
= |
200.0 |
nM |
409.49 |
CCCOc1cnc(CN/C=C2C(=O)NC(=O)c3ccc(C(C)(C)C)cc32)cc1O |
Homo sapiens |
CHEMBL1011869 |
cell-based format |
CHEMBL490451 |
OBDepict
I
O
HN
HN
O
N
O
O
|
IC50 |
= |
370.0 |
nM |
487.25 |
O=C1NC(=O)c2ccc(I)cc2/C1=C/NCc1ccn(-c2ccoc2)c(=O)c1 |
Homo sapiens |
CHEMBL1011869 |
cell-based format |
CHEMBL504547 |
OBDepict
I
O
HN
HN
O
OH
O
|
IC50 |
= |
610.0 |
nM |
486.26 |
O=C1NC(=O)c2ccc(I)cc2/C1=C/NCc1ccc(-c2ccoc2)c(O)c1 |
Homo sapiens |
CHEMBL1011869 |
cell-based format |