molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4870467 |
|
IC50 |
= |
27.0 |
nM |
383.45 |
O=C(O)c1ccc(-c2ccnc3[nH]c(-c4ccccc4)nc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
single protein format |
CHEMBL4857253 |
OBDepict
OH
O
N
N
HN
|
IC50 |
= |
31.0 |
nM |
359.43 |
O=C(O)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
single protein format |
CHEMBL558642 |
OBDepict
OH
O
N
H
N
|
IC50 |
= |
33.0 |
nM |
382.46 |
O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
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 |
= |
42.0 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328338 |
single protein format |
CHEMBL265470 |
OBDepict
OH
O
N
N
O
CH
3
O
HO
|
IC50 |
= |
120.0 |
nM |
374.35 |
CC(=O)O.O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 |
Homo sapiens |
CHEMBL1051323 |
single protein format |
CHEMBL4125686 |
OBDepict
OH
O
N
H
N
|
IC50 |
= |
195.0 |
nM |
306.37 |
O=C(O)c1ccc(-c2c[nH]c3ncccc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
single protein format |
CHEMBL4877552 |
OBDepict
HO
O
N
N
N
|
IC50 |
= |
238.0 |
nM |
383.45 |
O=C(O)c1ccc(-c2cnn3ccc(-c4ccccc4)nc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
single protein format |
CHEMBL4852523 |
OBDepict
OH
O
N
|
IC50 |
= |
239.0 |
nM |
317.39 |
O=C(O)c1ccc(-c2ccnc3ccccc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
single protein format |
CHEMBL4875005 |
OBDepict
HO
O
S
N
|
IC50 |
= |
384.0 |
nM |
399.52 |
O=C(O)c1ccc(-c2csc3ncc(-c4ccccc4)cc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
single protein format |
CHEMBL4862562 |
OBDepict
OH
O
N
S
N
|
IC50 |
= |
407.0 |
nM |
324.4 |
O=C(O)c1ccc(-c2ncnc3ccsc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
single protein format |
CHEMBL4866741 |
OBDepict
HO
O
O
N
|
IC50 |
= |
961.0 |
nM |
383.45 |
O=C(O)c1ccc(-c2coc3ncc(-c4ccccc4)cc23)cc1C1CCCC1 |
Homo sapiens |
CHEMBL4827617 |
single protein format |