molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL3818173 |
|
IC50 |
= |
2.4 |
nM |
332.75 |
O=C(Nc1cc(Nc2c(Cl)cnc3c2OCO3)ccn1)C1CC1 |
Homo sapiens |
CHEMBL3820165 |
cell-based format |
CHEMBL4778971 |
OBDepict
F
F
N
N
H
3
C
N
N
H
N
H
|
IC50 |
< |
5.0 |
nM |
455.51 |
Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)cc(F)c2n1 |
Homo sapiens |
CHEMBL4727755 |
single protein format |
CHEMBL4740381 |
OBDepict
CH
3
N
N
N
N
HN
|
IC50 |
< |
5.0 |
nM |
419.53 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2ccccc2n1 |
Homo sapiens |
CHEMBL4727755 |
single protein format |
CHEMBL2385597 |
OBDepict
CH
3
O
H
3
C
N
N
N
N
|
IC50 |
< |
5.0 |
nM |
380.45 |
CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |
CHEMBL2385582 |
OBDepict
O
N
N
N
N
N
|
IC50 |
< |
5.0 |
nM |
407.48 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCOCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |
CHEMBL2385596 |
OBDepict
CH
3
N
N
N
N
N
N
|
IC50 |
< |
5.0 |
nM |
420.52 |
CN1CCN(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |
CHEMBL4742906 |
OBDepict
CH
3
N
N
N
NH
HN
|
IC50 |
< |
5.0 |
nM |
419.53 |
Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2ccccc2n1 |
Homo sapiens |
CHEMBL4727755 |
single protein format |
CHEMBL4788859 |
OBDepict
F
N
N
H
3
C
N
N
HN
|
IC50 |
< |
5.0 |
nM |
437.52 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)ccc2n1 |
Homo sapiens |
CHEMBL4727755 |
single protein format |
CHEMBL4786529 |
OBDepict
F
F
N
N
H
3
C
N
N
HN
|
IC50 |
< |
5.0 |
nM |
455.51 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)cc(F)c2n1 |
Homo sapiens |
CHEMBL4727755 |
single protein format |
CHEMBL511563 |
OBDepict
CH
3
O
N
N
N
N
|
IC50 |
= |
6.78 |
nM |
352.4 |
COc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |
CHEMBL4280599 |
OBDepict
H
CH
3
N
NH
H
H
3
C
N
N
N
N
|
IC50 |
= |
7.0 |
nM |
434.55 |
C[C@H]1CNC[C@@H](C)N1c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL4263978 |
single protein format |
CHEMBL2385579 |
OBDepict
H
N
N
N
N
N
N
O
|
IC50 |
= |
10.4 |
nM |
346.39 |
c1cc(N2CCOCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |
CHEMBL513147 |
OBDepict
HN
N
N
N
N
N
|
IC50 |
= |
19.0 |
nM |
406.49 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL4263978 |
single protein format |
CHEMBL2385600 |
OBDepict
H
3
C
O
N
N
N
N
N
H
|
IC50 |
= |
41.0 |
nM |
291.31 |
COc1ccc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |
CHEMBL2385586 |
OBDepict
H
N
N
N
N
N
N
HN
|
IC50 |
= |
55.0 |
nM |
345.41 |
c1cc(N2CCNCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |
CHEMBL478629 |
OBDepict
N
O
N
N
N
N
|
IC50 |
= |
95.0 |
nM |
399.5 |
c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |
CHEMBL1078178 |
OBDepict
N
N
H
O
N
N
N
H
N
O
|
IC50 |
= |
405.0 |
nM |
414.47 |
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3889144 |
single protein format |
CHEMBL4283587 |
OBDepict
H
H
3
C
N
NH
H
H
3
C
N
N
N
S
O
O
NH
2
|
IC50 |
= |
444.0 |
nM |
512.64 |
C[C@H]1CNC[C@@H](C)N1c1ccc(-c2cnc3c(-c4cccc5c(S(N)(=O)=O)cccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL4263978 |
single protein format |
CHEMBL2385591 |
OBDepict
HN
N
N
N
N
N
|
IC50 |
= |
539.0 |
nM |
406.49 |
c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1 |
Homo sapiens |
CHEMBL2390525 |
single protein format |