molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4860979 |
|
IC50 |
= |
-30300.0 |
nM |
466.54 |
CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 |
Homo sapiens |
CHEMBL4804492 |
cell-based format |
CHEMBL4859660 |
OBDepict
NH
2
N
F
+
N
O
NH
O
_
O
|
IC50 |
= |
-5400.0 |
nM |
378.36 |
Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804492 |
cell-based format |
CHEMBL388978 |
OBDepict
CH
3
HN
H
H
O
H
O
N
H
3
C
H
3
C
N
O
N
H
|
IC50 |
= |
16.5 |
nM |
466.54 |
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 |
Homo sapiens |
CHEMBL4328601 |
single protein format |
CHEMBL3092468 |
OBDepict
Cl
S
F
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
128.0 |
nM |
418.84 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)cnc12 |
Homo sapiens |
CHEMBL3375445 |
single protein format |
CHEMBL3092460 |
OBDepict
Cl
Cl
S
HN
O
O
N
N
N
H
N
NH
2
|
IC50 |
= |
924.0 |
nM |
435.3 |
Nc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)cnc12 |
Homo sapiens |
CHEMBL3375445 |
single protein format |