molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4539512 |
|
IC50 |
= |
50.0 |
nM |
473.58 |
COc1cc(C(=O)N2CC[C@@H](O)[C@@H](N)C2)cc2nc(-c3cc4ccccc4n3CC3CC3)n(C)c12 |
Homo sapiens |
CHEMBL4425347 |
single protein format |
CHEMBL58150 |
OBDepict
NH
2
O
O
N
N
O
HO
|
IC50 |
= |
240.0 |
nM |
295.25 |
NC1=CC(=O)c2ccc(-c3cccc(C(=O)O)n3)nc2C1=O |
Homo sapiens |
CHEMBL3119092 |
single protein format |
CHEMBL1910970 |
OBDepict
OH
O
F
F
F
F
HN
NH
NH
H
O
NH
2
O
O
OH
|
IC50 |
= |
400.0 |
nM |
452.36 |
N=C(CF)NCCC[C@H](NC(=O)c1ccccc1C(=O)O)C(N)=O.O=C(O)C(F)(F)F |
Homo sapiens |
CHEMBL1914114 |
assay format |
CHEMBL3113470 |
OBDepict
H
2
N
O
Br
N
O
|
IC50 |
= |
560.0 |
nM |
253.06 |
NC1=C(Br)C(=O)c2cccnc2C1=O |
Homo sapiens |
CHEMBL3119092 |
single protein format |
CHEMBL57818 |
OBDepict
NH
2
O
O
N
N
|
IC50 |
= |
640.0 |
nM |
251.25 |
NC1=CC(=O)c2ccc(-c3ccccn3)nc2C1=O |
Homo sapiens |
CHEMBL3119092 |
single protein format |
CHEMBL60908 |
OBDepict
O
NH
2
N
O
|
IC50 |
= |
1000.0 |
nM |
174.16 |
NC1=CC(=O)c2cccnc2C1=O |
Homo sapiens |
CHEMBL3119092 |
single protein format |