molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4440737 |
|
IC50 |
= |
3.19 |
nM |
319.37 |
COc1ccc(Nc2c(-c3c[nH]c(C)n3)nc3ccccn23)cc1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL4470967 |
OBDepict
CH
3
O
N
H
N
N
N
H
3
C
N
Br
H
|
IC50 |
= |
13.72 |
nM |
398.26 |
COc1ccc(Nc2c(-c3nc[nH]c3C)nc3ccc(Br)cn23)cc1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL18620 |
OBDepict
O
|
IC50 |
= |
233.5 |
nM |
84.12 |
O=C1CCCC1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL4467793 |
OBDepict
O
N
H
CH
3
|
IC50 |
= |
240.3 |
nM |
159.19 |
Cc1cccc2c(C=O)c[nH]c12 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL18737 |
OBDepict
O
|
IC50 |
= |
249.8 |
nM |
126.2 |
O=C1CCCCCCC1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL4572394 |
OBDepict
O
N
|
IC50 |
= |
268.9 |
nM |
175.23 |
O=Cc1ccc(N2CCCC2)cc1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL543846 |
OBDepict
O
OH
HO
N
CH
3
ClH
|
IC50 |
= |
283.4 |
nM |
203.62 |
Cc1ncc(CO)c(C=O)c1O.Cl |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL108925 |
OBDepict
O
OH
|
IC50 |
= |
299.4 |
nM |
122.12 |
O=Cc1ccccc1O |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL350966 |
OBDepict
CH
3
O
HO
O
|
IC50 |
= |
300.6 |
nM |
152.15 |
COc1ccc(C=O)c(O)c1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL2229659 |
OBDepict
O
N
CH
3
|
IC50 |
= |
305.4 |
nM |
109.13 |
Cn1cccc1C=O |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL4451080 |
OBDepict
CH
3
O
O
N
N
N
H
N
S
O
O
CH
3
|
IC50 |
= |
319.8 |
nM |
550.64 |
COC(=O)c1ccc2nc(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)c(NCc3ccccc3)n2c1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL13883 |
OBDepict
CH
3
O
HO
O
|
IC50 |
= |
325.6 |
nM |
152.15 |
COc1cc(C=O)ccc1O |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL4592980 |
OBDepict
O
O
OH
|
IC50 |
= |
335.7 |
nM |
226.23 |
O=Cc1cccc(-c2ccc(C(=O)O)cc2)c1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL4448530 |
OBDepict
CH
3
O
N
H
N
N
N
N
Br
H
H
3
C
|
IC50 |
= |
537.9 |
nM |
398.26 |
COc1ccc(Nc2c(-c3c[nH]c(C)n3)nc3ccc(Br)cn23)cc1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL4452179 |
OBDepict
CH
3
O
O
CH
3
N
H
N
N
N
S
O
O
H
3
C
|
IC50 |
= |
553.2 |
nM |
566.68 |
COc1ccc(CCNc2c(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccccc34)nc3ccccn23)cc1OC |
Homo sapiens |
CHEMBL4418855 |
single protein format |
CHEMBL4446283 |
OBDepict
CH
3
O
N
H
N
N
N
H
3
C
N
H
|
IC50 |
= |
641.0 |
nM |
319.37 |
COc1ccc(Nc2c(-c3nc[nH]c3C)nc3ccccn23)cc1 |
Homo sapiens |
CHEMBL4418855 |
single protein format |