molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL493642 |
|
IC50 |
= |
59.0 |
nM |
537.58 |
Cc1[nH]n(-c2ccc(C(C)C)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007917 |
cell-based format |
CHEMBL570571 |
OBDepict
O
HN
O
N
H
F
F
F
O
N
H
N
F
|
IC50 |
= |
130.0 |
nM |
434.35 |
O=C1Nc2ccc(-c3ccn[nH]3)cc2[C@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 |
Homo sapiens |
CHEMBL1045803 |
single protein format |
CHEMBL490750 |
OBDepict
Cl
N
N
H
O
H
3
C
O
N
F
F
F
O
CH
3
H
3
C
|
IC50 |
= |
221.0 |
nM |
529.95 |
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007917 |
cell-based format |
CHEMBL449121 |
OBDepict
O
CH
3
CH
3
N
O
F
F
F
CH
3
N
O
N
H
O
F
F
F
|
IC50 |
= |
337.0 |
nM |
579.5 |
Cc1[nH]n(-c2ccc(OC(F)(F)F)cc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 |
Homo sapiens |
CHEMBL1007917 |
cell-based format |
CHEMBL490110 |
OBDepict
H
3
C
N
N
H
O
CH
3
O
N
F
F
F
O
H
3
C
CH
3
|
IC50 |
= |
375.0 |
nM |
509.53 |
Cc1ccc(-n2[nH]c(C)c(C3(C(F)(F)F)C(=O)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2=O)cc1 |
Homo sapiens |
CHEMBL1007917 |
cell-based format |
CHEMBL491944 |
OBDepict
H
3
C
O
N
N
H
O
CH
3
O
N
F
F
F
O
H
3
C
CH
3
|
IC50 |
= |
503.0 |
nM |
525.53 |
COc1ccc(-n2[nH]c(C)c(C3(C(F)(F)F)C(=O)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2=O)cc1 |
Homo sapiens |
CHEMBL1007917 |
cell-based format |