molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL566515 |
|
IC50 |
= |
3.3 |
nM |
417.43 |
COc1ccccc1-n1c(-c2cc(O)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 |
Homo sapiens |
CHEMBL1046773 |
single protein format |
CHEMBL3787112 |
OBDepict
HO
N
H
2
N
N
N
H
H
N
|
IC50 |
= |
9.0 |
nM |
349.44 |
Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1 |
Homo sapiens |
CHEMBL3789981 |
single protein format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
12.5 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328399 |
single protein format |
CHEMBL103667 |
OBDepict
O
HN
N
H
N
N
CH
3
CH
3
CH
3
O
H
3
C
N
O
|
IC50 |
= |
70.0 |
nM |
527.67 |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 |
Homo sapiens |
CHEMBL1932845 |
single protein format |
CHEMBL4216073 |
OBDepict
CH
3
NH
O
N
N
CH
3
HN
O
F
F
F
|
IC50 |
= |
74.0 |
nM |
452.44 |
CC(=O)Nc1cn2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccc2n1 |
Homo sapiens |
CHEMBL4181665 |
single protein format |
CHEMBL4798527 |
OBDepict
H
3
C
N
H
N
O
N
NH
2
N
N
H
CH
3
F
F
F
H
HO
|
IC50 |
= |
227.0 |
nM |
548.57 |
Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |
Homo sapiens |
CHEMBL4766184 |
single protein format |