molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3906195 |
|
IC50 |
= |
190.0 |
nM |
286.37 |
Cc1ccc(C2=CS(=O)(=O)CCCS2(=O)=O)cc1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3941767 |
OBDepict
Br
S
S
O
O
O
O
|
IC50 |
= |
260.0 |
nM |
351.24 |
O=S1(=O)C=C(c2ccc(Br)cc2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3955764 |
OBDepict
O
S
O
S
O
O
|
IC50 |
= |
371.0 |
nM |
322.41 |
O=S1(=O)C=C(c2cccc3ccccc23)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3944461 |
OBDepict
F
S
S
O
O
O
O
|
IC50 |
= |
410.0 |
nM |
290.34 |
O=S1(=O)C=C(c2ccc(F)cc2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3958445 |
OBDepict
O
S
O
S
O
O
O
|
IC50 |
= |
410.0 |
nM |
364.44 |
O=S1(=O)C=C(c2ccc(Oc3ccccc3)cc2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3903219 |
OBDepict
F
S
S
O
O
O
O
|
IC50 |
= |
430.0 |
nM |
290.34 |
O=S1(=O)C=C(c2ccccc2F)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3943955 |
OBDepict
CH
3
S
S
O
O
O
O
|
IC50 |
= |
430.0 |
nM |
300.4 |
CCc1ccc(C2=CS(=O)(=O)CCCS2(=O)=O)cc1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3941717 |
OBDepict
O
O
S
S
O
O
O
O
|
IC50 |
= |
440.0 |
nM |
392.45 |
O=C(Oc1ccccc1)c1cccc(C2=CS(=O)(=O)CCCS2(=O)=O)c1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3918646 |
OBDepict
F
O
F
F
S
S
O
O
O
O
|
IC50 |
= |
490.0 |
nM |
356.34 |
O=S1(=O)C=C(c2ccc(OC(F)(F)F)cc2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3921852 |
OBDepict
Br
S
S
O
O
O
O
|
IC50 |
= |
570.0 |
nM |
351.24 |
O=S1(=O)C=C(c2ccccc2Br)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3919125 |
OBDepict
O
S
O
S
O
O
F
F
F
|
IC50 |
= |
580.0 |
nM |
340.34 |
O=S1(=O)C=C(c2ccccc2C(F)(F)F)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3905888 |
OBDepict
H
3
C
O
S
S
O
O
O
O
|
IC50 |
= |
590.0 |
nM |
316.4 |
CCOc1ccc(C2=CS(=O)(=O)CCCS2(=O)=O)cc1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3891488 |
OBDepict
O
S
O
S
O
O
|
IC50 |
= |
600.0 |
nM |
348.44 |
O=S1(=O)C=C(c2ccc(-c3ccccc3)cc2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3932833 |
OBDepict
O
S
O
S
O
O
F
F
F
|
IC50 |
= |
600.0 |
nM |
340.34 |
O=S1(=O)C=C(c2cccc(C(F)(F)F)c2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3906449 |
OBDepict
Cl
S
S
O
O
O
O
|
IC50 |
= |
640.0 |
nM |
306.79 |
O=S1(=O)C=C(c2ccccc2Cl)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3920910 |
OBDepict
I
S
S
O
O
O
O
|
IC50 |
= |
710.0 |
nM |
398.24 |
O=S1(=O)C=C(c2ccc(I)cc2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3941261 |
OBDepict
I
S
S
O
O
O
O
|
IC50 |
= |
850.0 |
nM |
398.24 |
O=S1(=O)C=C(c2cccc(I)c2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3934499 |
OBDepict
Br
S
S
O
O
O
O
|
IC50 |
= |
890.0 |
nM |
351.24 |
O=S1(=O)C=C(c2cccc(Br)c2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3979946 |
OBDepict
CH
3
O
S
S
O
O
O
O
|
IC50 |
= |
910.0 |
nM |
302.37 |
COc1cccc(C2=CS(=O)(=O)CCCS2(=O)=O)c1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3961540 |
OBDepict
CH
3
O
NH
O
S
S
O
O
O
O
|
IC50 |
= |
1000.0 |
nM |
477.6 |
CCCCOc1ccccc1C(=O)NC(Cc1ccccc1)C1=CS(=O)(=O)CCS1(=O)=O |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3939021 |
OBDepict
CH
3
O
S
S
O
O
O
O
|
IC50 |
= |
1000.0 |
nM |
302.37 |
COc1ccccc1C1=CS(=O)(=O)CCCS1(=O)=O |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3916206 |
OBDepict
H
3
C
O
O
S
S
O
O
O
O
|
IC50 |
= |
1000.0 |
nM |
344.41 |
CCOC(=O)c1cccc(C2=CS(=O)(=O)CCCS2(=O)=O)c1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3977579 |
OBDepict
Cl
S
S
O
O
O
O
|
IC50 |
= |
1000.0 |
nM |
306.79 |
O=S1(=O)C=C(c2cccc(Cl)c2)S(=O)(=O)CCC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |
CHEMBL3956728 |
OBDepict
Br
S
S
O
O
O
O
|
IC50 |
= |
1000.0 |
nM |
337.22 |
O=S1(=O)C=C(c2ccc(Br)cc2)S(=O)(=O)CC1 |
Homo sapiens |
CHEMBL3880098 |
single protein format |