molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3422677 |
|
IC50 |
= |
15.0 |
nM |
403.49 |
CC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3422678 |
OBDepict
N
N
N
O
CH
3
N
H
3
C
O
NH
O
H
N
H
|
IC50 |
= |
25.0 |
nM |
456.51 |
Cc1noc(C)c1Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3422674 |
OBDepict
N
N
O
N
O
CH
3
HN
O
H
N
H
|
IC50 |
= |
108.0 |
nM |
491.55 |
CN1Cc2cc(-n3cc(C#N)c4cc(Oc5ccc(NC(=O)[C@@H]6CCCN6)cc5)ccc43)ccc2C1=O |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3421733 |
OBDepict
N
N
N
CH
3
H
3
C
CH
3
N
H
O
H
NH
|
IC50 |
= |
141.0 |
nM |
415.54 |
CC(C)Cn1cc(C#N)c2cc(N(C)c3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3422676 |
OBDepict
N
N
O
CH
3
N
H
3
C
O
NH
O
H
N
H
|
IC50 |
= |
159.0 |
nM |
455.52 |
Cc1noc(C)c1Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3422675 |
OBDepict
N
N
O
HN
O
H
N
H
|
IC50 |
= |
188.0 |
nM |
436.52 |
N#Cc1cn(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3421734 |
OBDepict
N
N
S
H
3
C
CH
3
NH
O
H
N
H
|
IC50 |
= |
190.0 |
nM |
418.57 |
CC(C)Cn1cc(C#N)c2cc(Sc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3422673 |
OBDepict
N
N
O
HN
O
H
N
H
|
IC50 |
= |
374.0 |
nM |
422.49 |
N#Cc1cn(-c2ccccc2)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3422651 |
OBDepict
N
N
O
H
3
C
CH
3
NH
O
H
N
H
|
IC50 |
= |
384.0 |
nM |
402.5 |
CC(C)Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3422672 |
OBDepict
N
N
O
O
HN
O
H
N
H
|
IC50 |
= |
429.0 |
nM |
444.54 |
N#Cc1cn(CC2CCOCC2)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 |
Homo sapiens |
CHEMBL3425139 |
single protein format |
CHEMBL3421731 |
OBDepict
O
N
H
H
N
H
O
N
H
3
C
N
N
CH
3
|
IC50 |
= |
818.0 |
nM |
415.5 |
Cn1cc(-c2cn(C)c3ccc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc4)cc23)cn1 |
Homo sapiens |
CHEMBL3425139 |
single protein format |