molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3686884 |
|
IC50 |
= |
4.5 |
nM |
587.68 |
CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21 |
Homo sapiens |
CHEMBL3706136 |
single protein format |
CHEMBL3686883 |
OBDepict
CH
3
O
O
O
N
N
H
O
H
3
C
N
HN
O
N
CH
3
|
IC50 |
= |
5.1 |
nM |
557.65 |
CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C)CC5)cc4)c3)c(OCCOC)cc21 |
Homo sapiens |
CHEMBL3706136 |
single protein format |
CHEMBL3686864 |
OBDepict
CH
3
N
NH
O
N
O
O
H
3
C
N
N
H
O
H
3
C
|
IC50 |
= |
6.4 |
nM |
527.63 |
CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 |
Homo sapiens |
CHEMBL3706136 |
single protein format |
CHEMBL2303729 |
OBDepict
O
N
O
O
H
O
H
OH
H
H
HO
O
OH
H
HO
|
IC50 |
= |
340.0 |
nM |
319.27 |
O=C(O)[C@@H]1O[C@@H](OCCN2C(=O)CCC2=O)[C@@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL676959 |
single protein format |