molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2159511 |
|
IC50 |
= |
1.0 |
nM |
506.98 |
CS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 |
Homo sapiens |
CHEMBL2163022 |
cell-based format |
CHEMBL2159510 |
OBDepict
H
3
C
S
O
O
H
O
H
O
S
O
O
F
Cl
F
|
IC50 |
= |
2.0 |
nM |
521.0 |
CCS(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 |
Homo sapiens |
CHEMBL2163022 |
cell-based format |
CHEMBL2159509 |
OBDepict
Cl
S
O
O
H
O
F
O
H
F
S
O
O
CH
3
H
3
C
|
IC50 |
= |
3.0 |
nM |
535.03 |
CC(C)S(=O)(=O)CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 |
Homo sapiens |
CHEMBL2163022 |
cell-based format |
CHEMBL2159689 |
OBDepict
CH
3
N
H
O
O
H
O
H
O
S
O
O
Cl
F
F
|
IC50 |
= |
6.0 |
nM |
501.94 |
CNC(=O)OCC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 |
Homo sapiens |
CHEMBL2163022 |
cell-based format |
CHEMBL2159687 |
OBDepict
OH
H
O
H
O
S
O
O
Cl
F
F
|
IC50 |
= |
8.0 |
nM |
444.88 |
O=S(=O)(c1ccc(Cl)cc1)[C@@]12CCO[C@@H](CCO)[C@@H]1COc1c(F)ccc(F)c12 |
Homo sapiens |
CHEMBL2163022 |
cell-based format |
CHEMBL2159691 |
OBDepict
N
H
O
H
O
S
O
O
Cl
F
F
|
IC50 |
= |
16.0 |
nM |
453.89 |
N#CCC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 |
Homo sapiens |
CHEMBL2163022 |
cell-based format |
CHEMBL2159690 |
OBDepict
CH
3
HN
O
O
H
O
H
O
S
O
O
Cl
F
F
|
IC50 |
= |
20.0 |
nM |
515.96 |
CCNC(=O)OCC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12 |
Homo sapiens |
CHEMBL2163022 |
cell-based format |