molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4457578 |
|
IC50 |
= |
16.0 |
nM |
481.98 |
Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(C(=O)O)ccc2n1C/C(F)=C/CN.Cl |
Homo sapiens |
CHEMBL4323287 |
cell-based format |
CHEMBL964 |
OBDepict
CH
3
N
S
S
CH
3
S
N
S
H
3
C
H
3
C
|
IC50 |
= |
93.0 |
nM |
296.55 |
CCN(CC)C(=S)SSC(=S)N(CC)CC |
Homo sapiens |
CHEMBL4235821 |
cell-based format |
CHEMBL120563 |
OBDepict
CH
3
N
CH
3
S
S
S
N
S
CH
3
H
3
C
|
IC50 |
= |
110.0 |
nM |
240.44 |
CN(C)C(=S)SSC(=S)N(C)C |
Homo sapiens |
CHEMBL4235821 |
cell-based format |
CHEMBL1618272 |
OBDepict
NH
2
N
|
IC50 |
= |
170.0 |
nM |
70.09 |
N#CCCN |
Homo sapiens |
CHEMBL4235821 |
cell-based format |
CHEMBL4068784 |
OBDepict
NH
2
N
Cl
|
IC50 |
= |
214.0 |
nM |
142.59 |
NCc1ccnc(Cl)c1 |
Homo sapiens |
CHEMBL3997548 |
single protein format |
CHEMBL4568508 |
OBDepict
H
2
N
N
S
S
O
O
S
O
O
CH
3
|
IC50 |
= |
860.0 |
nM |
408.53 |
CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1 |
Homo sapiens |
CHEMBL4403237 |
cell-based format |