molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
3.8 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3820662 |
single protein format |
CHEMBL4212531 |
OBDepict
HO
N
CH
3
H
3
C
N
O
H
2
N
N
N
N
H
O
N
Cl
|
IC50 |
= |
53.0 |
nM |
479.93 |
CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21 |
Homo sapiens |
CHEMBL4681429 |
single protein format |
CHEMBL2151321 |
OBDepict
CH
3
O
H
3
C
N
H
N
N
N
N
NH
CH
3
H
N
F
|
IC50 |
< |
100.0 |
nM |
381.42 |
CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1 |
Homo sapiens |
CHEMBL2155078 |
single protein format |
CHEMBL1774056 |
OBDepict
N
N
N
H
F
NH
CH
3
H
N
N
N
H
H
3
C
F
|
IC50 |
= |
224.0 |
nM |
355.35 |
Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)cc2F)n[nH]1 |
Homo sapiens |
CHEMBL1776851 |
single protein format |
CHEMBL3422092 |
OBDepict
HO
H
N
H
N
N
H
N
H
O
H
N
|
IC50 |
= |
690.0 |
nM |
493.61 |
O=C(N[C@@H](c1ccccn1)C1CC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1 |
Homo sapiens |
CHEMBL3423972 |
single protein format |