molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL235920 |
|
IC50 |
= |
51.0 |
nM |
597.78 |
CCN([C@@H]1CCN(C(C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1 |
Homo sapiens |
CHEMBL897957 |
cell-based format |
CHEMBL399821 |
OBDepict
CH
3
S
NH
O
O
N
N
H
S
O
H
3
C
|
IC50 |
= |
147.0 |
nM |
509.7 |
CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1 |
Homo sapiens |
CHEMBL897957 |
cell-based format |
CHEMBL1390514 |
OBDepict
F
F
F
S
N
N
|
IC50 |
= |
340.0 |
nM |
334.37 |
FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4825389 |
single protein format |
CHEMBL392977 |
OBDepict
CH
3
S
HN
O
O
N
N
H
O
CH
3
|
IC50 |
= |
402.0 |
nM |
503.67 |
CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1 |
Homo sapiens |
CHEMBL897957 |
cell-based format |
CHEMBL391659 |
OBDepict
CH
3
O
N
N
H
HN
S
S
N
O
O
N
Cl
Cl
|
IC50 |
= |
433.0 |
nM |
592.57 |
COc1ccc(-c2[nH]c(-c3cccs3)nc2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 |
Homo sapiens |
CHEMBL897957 |
cell-based format |
CHEMBL1520238 |
OBDepict
Br
S
N
N
|
IC50 |
= |
530.0 |
nM |
345.27 |
Brc1ccc(CSc2nccn2-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4825389 |
single protein format |
CHEMBL1352020 |
OBDepict
H
3
C
S
N
N
|
IC50 |
= |
870.0 |
nM |
294.42 |
CCc1ccc(CSc2nccn2-c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4825389 |
single protein format |