molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3290335 |
|
IC50 |
= |
24.0 |
nM |
445.53 |
C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccc(C#N)cc23)CCN1c1ccc(C#N)cn1 |
Homo sapiens |
CHEMBL3293781 |
cell-based format |
CHEMBL3290333 |
OBDepict
N
N
N
H
H
3
C
N
N
N
F
F
F
|
IC50 |
= |
100.0 |
nM |
488.52 |
C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccc(C(F)(F)F)cc23)CCN1c1ccc(C#N)cn1 |
Homo sapiens |
CHEMBL3293781 |
cell-based format |
CHEMBL3798814 |
OBDepict
CH
3
O
CH
3
CH
3
N
H
HN
O
N
O
CH
3
|
IC50 |
= |
117.0 |
nM |
435.57 |
CCCCOc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccccc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3798147 |
OBDepict
OH
HN
N
H
O
N
O
H
3
C
CH
3
CH
3
O
CH
3
|
IC50 |
= |
150.0 |
nM |
447.54 |
COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccc(C#CCO)cc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3799061 |
OBDepict
CH
3
O
CH
3
CH
3
NH
N
H
O
N
O
H
3
C
O
NH
2
|
IC50 |
= |
150.0 |
nM |
478.59 |
COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccc(CCCC(N)=O)cc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3290331 |
OBDepict
N
N
N
H
H
3
C
N
N
N
Cl
|
IC50 |
= |
210.0 |
nM |
454.97 |
C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccc(Cl)cc23)CCN1c1ccc(C#N)cn1 |
Homo sapiens |
CHEMBL3293781 |
cell-based format |
CHEMBL3799085 |
OBDepict
CH
3
O
CH
3
CH
3
N
H
HN
O
N
O
CH
3
|
IC50 |
= |
260.0 |
nM |
407.51 |
CCOc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccccc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3798254 |
OBDepict
H
3
C
O
CH
3
CH
3
N
H
NH
H
O
N
O
H
3
C
|
IC50 |
= |
485.0 |
nM |
393.49 |
COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccccc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3798874 |
OBDepict
CH
3
O
N
NH
O
N
H
CH
3
H
3
C
O
F
F
F
|
IC50 |
= |
590.0 |
nM |
461.48 |
Cc1cc(C(=O)NC(CNCc2cc(C)c(OCC(F)(F)F)cc2C)c2ccccc2)no1 |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3797779 |
OBDepict
CH
3
O
CH
3
CH
3
N
H
HN
O
N
F
O
CH
3
|
IC50 |
= |
720.0 |
nM |
411.48 |
COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccc(F)cc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3798062 |
OBDepict
H
3
C
O
CH
3
H
3
C
NH
NH
O
N
O
|
IC50 |
= |
730.0 |
nM |
419.53 |
COc1cc(C)c(CNCC(NC(=O)c2cc(C3CC3)on2)c2ccccc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3290322 |
OBDepict
_
O
+
N
O
N
N
H
CH
3
N
N
N
|
IC50 |
= |
740.0 |
nM |
440.51 |
C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc([N+](=O)[O-])cn1 |
Homo sapiens |
CHEMBL3293781 |
cell-based format |
CHEMBL3799254 |
OBDepict
H
3
C
O
CH
3
CH
3
N
H
NH
O
N
N
O
H
3
C
|
IC50 |
= |
850.0 |
nM |
394.48 |
COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccncc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3798106 |
OBDepict
CH
3
O
N
NH
O
N
H
CH
3
H
3
C
O
N
|
IC50 |
= |
1000.0 |
nM |
470.57 |
Cc1cc(C(=O)NC(CNCc2cc(C)c(OCc3ccncc3)cc2C)c2ccccc2)no1 |
Homo sapiens |
CHEMBL3803908 |
single protein format |
CHEMBL3799908 |
OBDepict
H
3
C
O
CH
3
CH
3
N
H
NH
O
N
O
H
3
C
|
IC50 |
= |
1000.0 |
nM |
393.49 |
COc1cc(C)c(CNCC(NC(=O)c2cc(C)on2)c2ccccc2)cc1C |
Homo sapiens |
CHEMBL3803908 |
single protein format |