molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL388978 |
|
IC50 |
= |
7.3 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4145869 |
single protein format |
CHEMBL4075720 |
OBDepict
CH
3
N
N
N
H
O
N
N
NH
H
N
N
S
|
IC50 |
< |
10.0 |
nM |
448.56 |
CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 |
Homo sapiens |
CHEMBL4155906 |
single protein format |
CHEMBL4762609 |
OBDepict
O
N
N
H
F
F
N
N
N
H
N
N
O
|
IC50 |
= |
110.0 |
nM |
457.49 |
O=C(Cc1ccc(F)c(F)c1)N1CCC(Nc2ncc3c(N4CCOCC4)n[nH]c3n2)CC1 |
Homo sapiens |
CHEMBL4673641 |
single protein format |
CHEMBL1234833 |
OBDepict
OH
HN
H
HO
H
OH
N
N
H
N
N
H
3
C
H
3
C
|
IC50 |
= |
330.0 |
nM |
385.47 |
CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 |
Homo sapiens |
CHEMBL1806346 |
single protein format |
CHEMBL2430323 |
OBDepict
H
3
C
NH
O
N
N
CH
3
N
H
|
IC50 |
= |
400.0 |
nM |
266.3 |
CC(=O)Nc1cccc(-c2cnc3[nH]nc(C)c3c2)c1 |
Homo sapiens |
CHEMBL2432948 |
single protein format |
CHEMBL4564337 |
OBDepict
H
3
C
O
Br
N
O
H
N
N
H
|
IC50 |
= |
1000.0 |
nM |
358.2 |
COc1cc2c(-c3cnc(-c4ccc[nH]4)o3)c[nH]c2cc1Br |
Homo sapiens |
CHEMBL4338188 |
single protein format |