molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4528101 |
|
IC50 |
= |
5.8 |
nM |
505.57 |
CC(C)n1nc(C(F)F)cc1C(=O)Nc1ccc([C@H]2[C@@H](O)CCCc3cncn32)c(-c2ccccc2)c1 |
Homo sapiens |
CHEMBL4356419 |
single protein format |
CHEMBL4447716 |
OBDepict
CH
3
N
H
N
N
O
H
O
N
N
H
|
IC50 |
= |
60.0 |
nM |
541.66 |
Cc1ccc(-c2[nH]c3ncccc3c2CCC(=O)N2CCOC[C@H]2c2nc3ccccc3[nH]2)c(-c2ccccc2)c1 |
Homo sapiens |
CHEMBL4356419 |
single protein format |
CHEMBL4095913 |
OBDepict
O
NH
N
O
S
S
N
HN
O
O
|
IC50 |
< |
500.0 |
nM |
566.66 |
O=C(NCc1ccco1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccco5)cnc34)cccc2c1 |
Homo sapiens |
CHEMBL4049706 |
single protein format |