molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
1.39 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328584 |
single protein format |
CHEMBL494089 |
OBDepict
CH
3
N
N
N
O
O
H
2
N
N
N
H
HN
OH
H
3
C
H
3
C
|
IC50 |
= |
5.0 |
nM |
425.49 |
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 |
Homo sapiens |
CHEMBL1028111 |
single protein format |
CHEMBL4872886 |
OBDepict
H
3
C
CH
3
NH
2
H
N
H
O
O
O
F
F
N
|
IC50 |
= |
326.0 |
nM |
339.34 |
CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnco2)c(OC(F)F)c1 |
Homo sapiens |
CHEMBL4829170 |
assay format |
CHEMBL583144 |
OBDepict
Cl
S
N
Cl
N
O
H
|
Ki |
= |
584.7 |
nM |
271.13 |
O=c1[nH]cnc2c1sc1c(Cl)ccc(Cl)c12 |
Homo sapiens |
CHEMBL1060318 |
single protein format |