molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL2206684 |
|
Ki |
= |
0.000288 |
nM |
432.49 |
C=CCn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc32)nc2ccccc21 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206694 |
OBDepict
N
NH
2
N
N
N
H
|
Ki |
= |
0.000589 |
nM |
313.36 |
N#Cc1cc(-c2ccccc2)n(Cc2nc3ccccc3[nH]2)c1N |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206696 |
OBDepict
H
N
N
NH
2
N
N
|
Ki |
= |
0.001 |
nM |
351.41 |
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccncc1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206680 |
OBDepict
H
N
N
H
2
N
N
N
N
H
|
Ki |
= |
0.00153 |
nM |
390.45 |
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1nc2ccccc2[nH]1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206685 |
OBDepict
CH
3
O
O
N
N
N
N
N
N
H
O
|
Ki |
= |
0.0017 |
nM |
478.51 |
CCOC(=O)Cn1c(CN2C3=Nc4ccccc4C(=O)NC3=Nc3ccccc32)nc2ccccc21 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206681 |
OBDepict
H
N
N
N
H
2
N
N
N
H
|
Ki |
= |
0.00217 |
nM |
404.48 |
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206691 |
OBDepict
N
NH
2
N
Cl
|
Ki |
= |
0.00227 |
nM |
293.76 |
N#Cc1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1N |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206693 |
OBDepict
N
NH
2
N
N
N
H
|
Ki |
= |
0.00302 |
nM |
299.34 |
N#Cc1cc(-c2ccccc2)n(-c2nc3ccccc3[nH]2)c1N |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206690 |
OBDepict
N
H
2
N
N
Br
|
Ki |
= |
0.00327 |
nM |
338.21 |
N#Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1N |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206692 |
OBDepict
N
H
2
N
N
Cl
|
Ki |
= |
0.00329 |
nM |
293.76 |
N#Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1N |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206689 |
OBDepict
N
NH
2
N
Br
|
Ki |
= |
0.00411 |
nM |
338.21 |
N#Cc1cc(-c2ccccc2)n(-c2cccc(Br)c2)c1N |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206699 |
OBDepict
Cl
N
H
2
N
N
N
H
|
Ki |
= |
0.0044 |
nM |
384.87 |
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1cccc(Cl)c1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206700 |
OBDepict
Cl
N
NH
2
N
N
H
|
Ki |
= |
0.00445 |
nM |
384.87 |
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccc(Cl)cc1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206683 |
OBDepict
H
N
N
N
N
N
N
H
O
|
Ki |
= |
0.00636 |
nM |
392.42 |
O=C1NC2=Nc3ccccc3N(Cc3nc4ccccc4[nH]3)C2=Nc2ccccc21 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206695 |
OBDepict
H
N
N
NH
2
N
N
|
Ki |
= |
0.00653 |
nM |
351.41 |
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccccn1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206688 |
OBDepict
N
H
2
N
N
N
|
Ki |
= |
0.00759 |
nM |
260.3 |
N#Cc1cc(-c2ccccc2)n(-c2ccncc2)c1N |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206698 |
OBDepict
Br
N
NH
2
N
N
H
|
Ki |
= |
0.011 |
nM |
429.32 |
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccc(Br)cc1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206697 |
OBDepict
Br
N
H
2
N
N
N
H
|
Ki |
= |
0.012 |
nM |
429.32 |
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1cccc(Br)c1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206687 |
OBDepict
N
H
2
N
N
N
|
Ki |
= |
0.0333 |
nM |
260.3 |
N#Cc1cc(-c2ccccc2)n(-c2ccccn2)c1N |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206686 |
OBDepict
N
N
O
|
Ki |
= |
0.296 |
nM |
184.2 |
N#CC(C#N)CC(=O)c1ccccc1 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL2206682 |
OBDepict
O
N
H
N
N
N
H
|
Ki |
= |
1.33 |
nM |
262.27 |
O=C1NC2=Nc3ccccc3NC2=Nc2ccccc21 |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL1652555 |
OBDepict
O
N
NH
2
N
H
|
Ki |
= |
20.8 |
nM |
161.16 |
Nc1nc2ccccc2[nH]c1=O |
Homo sapiens |
CHEMBL2210436 |
single protein format |
CHEMBL4753144 |
OBDepict
F
N
N
O
S
O
|
IC50 |
= |
500.0 |
nM |
418.49 |
O=C(c1cc(-c2cccc(F)c2)nc2c(-c3cccs3)cccc12)N1CCOCC1 |
Homo sapiens |
CHEMBL4679628 |
cell-based format |
CHEMBL4791246 |
OBDepict
O
N
N
O
S
|
IC50 |
= |
500.0 |
nM |
400.5 |
O=C(c1cc(-c2ccccc2)nc2c(-c3cccs3)cccc12)N1CCOCC1 |
Homo sapiens |
CHEMBL4679628 |
cell-based format |