molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL236822 |
|
IC50 |
= |
2.0 |
nM |
205.28 |
N=C(N)NCCCC(CS)C(=O)O |
Homo sapiens |
CHEMBL885910 |
single protein format |
CHEMBL236822 |
OBDepict
SH
O
OH
N
H
NH
NH
2
|
Ki |
= |
2.0 |
nM |
205.28 |
N=C(N)NCCCC(CS)C(=O)O |
Homo sapiens |
CHEMBL901239 |
cell-free format |
CHEMBL245985 |
OBDepict
SH
O
OH
Cl
HN
NH
NH
2
|
IC50 |
= |
7.0 |
nM |
273.75 |
N=C(N)Nc1ccc(Cl)c(C(CS)C(=O)O)c1 |
Homo sapiens |
CHEMBL885910 |
single protein format |
CHEMBL245787 |
OBDepict
SH
O
OH
HN
NH
NH
2
|
IC50 |
= |
8.0 |
nM |
239.3 |
N=C(N)Nc1cccc(C(CS)C(=O)O)c1 |
Homo sapiens |
CHEMBL885910 |
single protein format |
CHEMBL245589 |
OBDepict
SH
O
OH
N
NH
H
2
N
|
IC50 |
= |
58.0 |
nM |
231.32 |
N=C(N)N1CCCC(C(CS)C(=O)O)C1 |
Homo sapiens |
CHEMBL885910 |
single protein format |
CHEMBL246978 |
OBDepict
HS
O
OH
HN
|
IC50 |
= |
60.0 |
nM |
189.28 |
O=C(O)C(CS)C1CCNCC1 |
Homo sapiens |
CHEMBL885910 |
single protein format |
CHEMBL391595 |
OBDepict
HS
O
OH
N
H
|
IC50 |
= |
61.0 |
nM |
203.31 |
O=C(O)C(CS)CC1CCNCC1 |
Homo sapiens |
CHEMBL885910 |
single protein format |
CHEMBL246595 |
OBDepict
SH
O
OH
NH
2
|
IC50 |
= |
357.0 |
nM |
197.26 |
Nc1cccc(C(CS)C(=O)O)c1 |
Homo sapiens |
CHEMBL885910 |
single protein format |
CHEMBL395661 |
OBDepict
HS
O
OH
NH
|
IC50 |
= |
420.0 |
nM |
203.31 |
O=C(O)C(CS)CC1CCCNC1 |
Homo sapiens |
CHEMBL885910 |
single protein format |
CHEMBL394951 |
OBDepict
SH
O
OH
HN
NH
2
|
IC50 |
= |
1000.0 |
nM |
224.28 |
N=C(N)c1ccc(C(CS)C(=O)O)cc1 |
Homo sapiens |
CHEMBL885910 |
single protein format |