molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3989927 |
|
IC50 |
= |
60.0 |
nM |
449.51 |
O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1 |
Homo sapiens |
CHEMBL4219431 |
cell-based format |
CHEMBL4635421 |
OBDepict
HO
H
N
N
N
N
H
N
H
O
N
O
O
HN
O
|
Ki |
= |
440.0 |
nM |
493.52 |
O=C1CCC(N2Cc3c(NC(=O)CNc4ccnc(N5CCC[C@@H]5CO)n4)cccc3C2=O)C(=O)N1 |
Homo sapiens |
CHEMBL4618786 |
single protein format |
CHEMBL4648134 |
OBDepict
O
N
H
O
NH
O
N
NH
2
|
Ki |
= |
800.0 |
nM |
298.3 |
Nc1ccc(C(=O)NC2CCC(=O)NC2=O)c2ncccc12 |
Homo sapiens |
CHEMBL4618786 |
single protein format |
CHEMBL4645406 |
OBDepict
O
HN
N
H
N
N
O
N
N
CH
3
O
N
H
O
|
Ki |
= |
970.0 |
nM |
499.53 |
CN(c1ccccc1)c1nccc(NCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)n1 |
Homo sapiens |
CHEMBL4618786 |
single protein format |