molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL51085 |
|
IC50 |
= |
190.0 |
nM |
274.18 |
O=c1c2ccccc2[se]n1-c1ccccc1 |
Homo sapiens |
CHEMBL1737863 |
single protein format |
CHEMBL1410147 |
OBDepict
O
P
N
H
N
S
N
S
|
IC50 |
= |
270.0 |
nM |
357.4 |
O=P(Nc1nccs1)(c1ccccc1)c1nc2ccccc2s1 |
Homo sapiens |
CHEMBL1737863 |
single protein format |
CHEMBL1978279 |
OBDepict
CH
3
O
N
OH
|
IC50 |
< |
391.0 |
nM |
279.34 |
COc1ccc(/N=C/C2=C(O)c3ccccc3CC2)cc1 |
Homo sapiens |
CHEMBL1614547 |
single protein format |
CHEMBL1333250 |
OBDepict
OH
O
N
H
S
O
O
N
S
O
|
IC50 |
= |
707.0 |
nM |
426.48 |
O=C(O)c1ccccc1NS(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1 |
Homo sapiens |
CHEMBL1737863 |
single protein format |
CHEMBL1714665 |
OBDepict
F
N
S
O
+
N
+
N
O
_
O
O
_
O
|
IC50 |
= |
709.0 |
nM |
335.27 |
O=c1c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2sn1-c1ccc(F)cc1 |
Homo sapiens |
CHEMBL1737863 |
single protein format |
CHEMBL1993627 |
OBDepict
OH
N
O
O
|
IC50 |
= |
828.76 |
nM |
293.32 |
OC1=C(/C=N/c2ccc3c(c2)OCO3)CCc2ccccc21 |
Homo sapiens |
CHEMBL1614547 |
single protein format |
CHEMBL1725120 |
OBDepict
F
S
N
O
CH
3
H
3
C
|
IC50 |
= |
985.0 |
nM |
273.33 |
Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1 |
Homo sapiens |
CHEMBL1737863 |
single protein format |
CHEMBL1314602 |
OBDepict
CH
3
O
N
S
O
F
|
IC50 |
= |
1000.0 |
nM |
275.3 |
COc1ccc(-n2sc3ccc(F)cc3c2=O)cc1 |
Homo sapiens |
CHEMBL1777059 |
single protein format |
CHEMBL1706034 |
OBDepict
H
3
C
O
N
S
O
F
|
IC50 |
= |
1000.0 |
nM |
275.3 |
COc1ccc(-n2sc3cc(F)ccc3c2=O)cc1 |
Homo sapiens |
CHEMBL3375686 |
single protein format |