molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3145429 |
|
IC50 |
= |
480.0 |
nM |
304.35 |
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145446 |
OBDepict
Br
N
N
H
N
N
H
O
CH
3
|
IC50 |
= |
490.0 |
nM |
383.25 |
Cc1[nH]n(-c2nc3cc(Br)ccc3[nH]2)c(=O)c1Cc1ccccc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145436 |
OBDepict
Cl
O
N
CH
3
N
H
N
N
H
|
IC50 |
= |
540.0 |
nM |
338.8 |
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1cccc(Cl)c1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145440 |
OBDepict
H
N
N
N
N
H
O
H
3
C
F
F
F
|
IC50 |
= |
550.0 |
nM |
372.35 |
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(C(F)(F)F)cc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145451 |
OBDepict
CH
3
N
N
H
N
N
H
O
H
3
C
F
F
F
|
IC50 |
= |
570.0 |
nM |
386.38 |
Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(C(F)(F)F)cc4)c3=O)nc2c1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145441 |
OBDepict
F
O
N
CH
3
N
H
N
N
H
|
IC50 |
= |
600.0 |
nM |
322.34 |
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(F)cc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145447 |
OBDepict
H
3
C
N
H
N
O
N
N
H
F
F
F
|
IC50 |
= |
610.0 |
nM |
372.35 |
Cc1[nH]n(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c(=O)c1Cc1ccccc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145442 |
OBDepict
CH
3
O
O
N
CH
3
N
H
N
N
H
|
IC50 |
= |
630.0 |
nM |
334.38 |
COc1ccc(Cc2c(C)[nH]n(-c3nc4ccccc4[nH]3)c2=O)cc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145448 |
OBDepict
H
3
C
N
H
N
O
N
N
H
CH
3
H
3
C
CH
3
|
IC50 |
= |
640.0 |
nM |
360.46 |
Cc1[nH]n(-c2nc3cc(C(C)(C)C)ccc3[nH]2)c(=O)c1Cc1ccccc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145419 |
OBDepict
CH
3
N
N
H
N
N
H
O
H
3
C
|
IC50 |
= |
670.0 |
nM |
318.38 |
Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccccc4)c3=O)nc2c1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145452 |
OBDepict
CH
3
O
O
N
CH
3
N
H
N
N
H
H
3
C
|
IC50 |
= |
680.0 |
nM |
348.41 |
COc1ccc(Cc2c(C)[nH]n(-c3nc4cc(C)ccc4[nH]3)c2=O)cc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145443 |
OBDepict
H
N
N
N
N
H
O
H
3
C
|
IC50 |
= |
720.0 |
nM |
380.45 |
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc(-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145410 |
OBDepict
CH
3
N
N
H
N
N
H
O
H
3
C
Cl
Cl
|
IC50 |
= |
720.0 |
nM |
387.27 |
Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(Cl)c(Cl)c4)c3=O)nc2c1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145430 |
OBDepict
H
N
N
N
N
H
O
CH
3
|
IC50 |
= |
750.0 |
nM |
354.41 |
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccc2ccccc2c1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145412 |
OBDepict
Cl
O
N
H
3
C
N
H
N
N
H
CH
3
|
IC50 |
= |
750.0 |
nM |
352.83 |
Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(Cl)cc4)c3=O)nc2c1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145413 |
OBDepict
F
O
N
H
3
C
N
H
N
N
H
CH
3
|
IC50 |
= |
780.0 |
nM |
336.37 |
Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(F)cc4)c3=O)nc2c1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145449 |
OBDepict
O
N
N
H
N
N
CH
3
H
|
IC50 |
= |
810.0 |
nM |
380.45 |
Cc1[nH]n(-c2nc3cc(-c4ccccc4)ccc3[nH]2)c(=O)c1Cc1ccccc1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |
CHEMBL3145411 |
OBDepict
CH
3
N
N
H
N
N
H
O
H
3
C
Cl
|
IC50 |
= |
910.0 |
nM |
352.83 |
Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccccc4Cl)c3=O)nc2c1 |
Homo sapiens |
CHEMBL3119218 |
single protein format |