molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4878379 |
|
IC50 |
= |
28.0 |
nM |
357.8 |
COC(=O)c1c(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)nn1C |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4848035 |
OBDepict
Cl
N
NH
2
N
N
N
H
3
C
H
3
C
S
|
IC50 |
= |
74.0 |
nM |
319.82 |
Cc1c(Cc2cccs2)c(-c2cc(Cl)nc(N)n2)nn1C |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4868801 |
OBDepict
Cl
N
CH
3
N
N
CH
3
Cl
N
NH
2
|
IC50 |
= |
107.0 |
nM |
348.24 |
Cc1c(Cc2cccc(Cl)c2)c(-c2cc(Cl)nc(N)n2)nn1C |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4864668 |
OBDepict
F
N
CH
3
N
N
CH
3
Cl
N
NH
2
|
IC50 |
= |
126.0 |
nM |
331.78 |
Cc1c(Cc2cccc(F)c2)c(-c2cc(Cl)nc(N)n2)nn1C |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4857305 |
OBDepict
CH
3
N
N
N
F
Cl
N
H
2
N
|
IC50 |
= |
132.0 |
nM |
317.75 |
Cn1cc(Cc2ccccc2F)c(-c2cc(Cl)nc(N)n2)n1 |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4849033 |
OBDepict
CH
3
N
N
N
S
Cl
N
H
2
N
|
IC50 |
= |
141.0 |
nM |
305.79 |
Cn1cc(Cc2cccs2)c(-c2cc(Cl)nc(N)n2)n1 |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4854762 |
OBDepict
Cl
N
NH
2
N
N
N
H
3
C
H
3
C
|
IC50 |
= |
195.0 |
nM |
313.79 |
Cc1c(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)nn1C |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4866319 |
OBDepict
Cl
N
NH
2
N
N
N
H
3
C
N
H
3
C
N
|
IC50 |
= |
325.0 |
nM |
303.76 |
Cc1c(Cn2cccn2)c(-c2cc(Cl)nc(N)n2)nn1C |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4864843 |
OBDepict
F
N
N
CH
3
N
Cl
N
NH
2
|
IC50 |
= |
342.0 |
nM |
317.75 |
Cn1cc(Cc2ccc(F)cc2)c(-c2cc(Cl)nc(N)n2)n1 |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4867202 |
OBDepict
H
3
C
O
N
N
H
3
C
N
Cl
N
NH
2
|
IC50 |
= |
351.0 |
nM |
329.79 |
COc1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1 |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4874288 |
OBDepict
F
N
N
H
3
C
N
Cl
N
NH
2
|
IC50 |
= |
392.0 |
nM |
317.75 |
Cn1cc(Cc2cccc(F)c2)c(-c2cc(Cl)nc(N)n2)n1 |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4866035 |
OBDepict
CH
3
N
N
N
S
N
Cl
N
H
2
N
|
IC50 |
= |
576.0 |
nM |
306.78 |
Cn1cc(Cc2cncs2)c(-c2cc(Cl)nc(N)n2)n1 |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL1162355 |
OBDepict
NH
2
N
N
N
N
H
O
H
H
3
C
H
O
P
O
O
OH
P
O
O
OH
P
O
OH
HO
|
IC50 |
= |
700.0 |
nM |
475.18 |
C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OP(=O)(O)OP(=O)(O)OP(=O)(O)O |
Homo sapiens |
CHEMBL979111 |
single protein format |
CHEMBL4878049 |
OBDepict
Cl
N
NH
2
N
N
N
CH
3
O
OH
|
IC50 |
= |
700.0 |
nM |
343.77 |
Cn1nc(-c2cc(Cl)nc(N)n2)c(Cc2ccccc2)c1C(=O)O |
Homo sapiens |
CHEMBL4839263 |
single protein format |
CHEMBL4874934 |
OBDepict
CH
3
N
N
N
Cl
N
H
2
N
|
IC50 |
= |
989.0 |
nM |
299.76 |
Cn1cc(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1 |
Homo sapiens |
CHEMBL4839263 |
single protein format |