molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL566515 |
|
IC50 |
= |
2.9 |
nM |
417.43 |
COc1ccccc1-n1c(-c2cc(O)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 |
Homo sapiens |
CHEMBL1046770 |
single protein format |
CHEMBL3979920 |
OBDepict
H
3
C
N
N
N
N
H
O
NH
F
H
H
NH
2
|
IC50 |
= |
31.0 |
nM |
344.39 |
Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1 |
Homo sapiens |
CHEMBL3869728 |
assay format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
49.8 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL3820482 |
single protein format |
CHEMBL1276179 |
OBDepict
F
N
F
N
N
H
N
H
N
CH
3
N
N
N
H
|
IC50 |
= |
95.3 |
nM |
534.57 |
CN1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5[nH]ncc45)c(-c4ccncc4)nn23)c(F)c1 |
Homo sapiens |
CHEMBL1285875 |
single protein format |
CHEMBL1171837 |
OBDepict
H
3
C
N
N
F
F
F
N
H
O
CH
3
N
N
N
|
IC50 |
= |
143.0 |
nM |
532.57 |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 |
Homo sapiens |
CHEMBL4721790 |
single protein format |
CHEMBL103667 |
OBDepict
O
HN
N
H
N
N
CH
3
CH
3
CH
3
O
H
3
C
N
O
|
IC50 |
= |
630.0 |
nM |
527.67 |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL1932842 |
single protein format |
CHEMBL1923983 |
OBDepict
H
3
C
O
N
H
O
N
N
H
N
N
H
3
C
N
N
H
CH
3
|
IC50 |
= |
686.0 |
nM |
379.42 |
CNc1nc2[nH]c(-c3cccc(CNC(=O)COC)n3)cc2c2c1ncn2C |
Homo sapiens |
CHEMBL1924441 |
single protein format |