molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2059435 |
|
IC50 |
= |
760.0 |
nM |
478.42 |
CC[C@@H]([C@H](C)O)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL2182644 |
cell-based format |
CHEMBL191334 |
OBDepict
CH
3
O
O
N
N
H
3
C
CH
3
H
N
O
H
N
H
O
Cl
Cl
|
IC50 |
= |
1000.0 |
nM |
581.5 |
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1 |
Homo sapiens |
CHEMBL1052166 |
cell-based format |
CHEMBL583413 |
OBDepict
Br
O
N
N
CH
3
N
N
CH
3
Br
|
IC50 |
= |
1000.0 |
nM |
564.28 |
Cc1ccc2c(c1)C1=C(C(c3ccc(Br)cc3)O2)C(c2ccc(Br)cc2)n2ncnc2N1C |
Homo sapiens |
CHEMBL1052166 |
cell-based format |
CHEMBL2059300 |
OBDepict
CH
3
N
H
O
O
O
H
CH
3
H
H
3
C
CH
3
H
3
C
O
HO
Cl
Cl
|
IC50 |
= |
1000.0 |
nM |
534.48 |
CC[C@@H](C(=O)OC(C)(C)C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL2182648 |
cell-based format |