molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL55076 |
|
IC50 |
= |
0.13 |
nM |
401.54 |
CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4228416 |
OBDepict
CH
3
O
O
CH
3
N
O
H
H
N
H
O
Cl
|
IC50 |
= |
0.36 |
nM |
478.98 |
COc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3Cl)[C@@H](c3ccccc3)C2)cc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4225519 |
OBDepict
CH
3
O
O
N
CH
3
N
O
N
N
H
N
H
H
3
C
CH
3
O
O
F
F
F
|
IC50 |
= |
0.54 |
nM |
533.51 |
COc1cc(C(=O)N2CC[C@H](NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3C(C)C)cnc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4228472 |
OBDepict
O
N
Cl
N
H
N
H
N
H
O
N
H
3
C
N
F
F
F
|
IC50 |
= |
0.71 |
nM |
542.95 |
Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(Cl)c3nccnc3c2)C[C@@H]1c1ccccc1 |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4225462 |
OBDepict
CH
3
O
O
N
CH
3
N
O
N
N
NH
CH
3
CH
3
O
O
F
F
F
|
IC50 |
= |
1.2 |
nM |
533.51 |
COc1cc(C(=O)N2CCC(NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3C(C)C)cnc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4225764 |
OBDepict
CH
3
O
O
CH
3
N
O
N
H
O
Cl
|
IC50 |
= |
1.2 |
nM |
478.98 |
COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)C(c3ccccc3)C2)cc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4229253 |
OBDepict
CH
3
O
O
CH
3
N
O
H
H
N
H
O
Cl
|
IC50 |
= |
5.0 |
nM |
478.98 |
COc1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3Cl)[C@H](c3ccccc3)C2)cc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4225192 |
OBDepict
CH
3
O
O
CH
3
N
O
N
H
Cl
O
Cl
|
IC50 |
= |
5.1 |
nM |
485.37 |
COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3ccc(Cl)cc32)cc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4226297 |
OBDepict
CH
3
O
O
CH
3
N
O
N
N
HN
H
3
C
O
Cl
|
IC50 |
= |
7.7 |
nM |
454.91 |
COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C)cc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4228993 |
OBDepict
CH
3
O
O
CH
3
N
O
H
H
N
H
O
Cl
|
IC50 |
= |
220.0 |
nM |
478.98 |
COc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccccc3Cl)[C@H](c3ccccc3)C2)cc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |
CHEMBL4226045 |
OBDepict
CH
3
O
O
CH
3
N
O
HN
Cl
Cl
|
IC50 |
= |
650.0 |
nM |
457.36 |
COc1ccc(C(=O)N2CCC(Nc3ccc(Cl)cc3)c3ccc(Cl)cc32)cc1OC |
Homo sapiens |
CHEMBL4223800 |
cell-based format |