molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4855730 |
|
IC50 |
= |
-20500.0 |
nM |
452.51 |
Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O |
Homo sapiens |
CHEMBL4804707 |
cell-based format |
CHEMBL2385582 |
OBDepict
O
N
N
N
N
N
|
IC50 |
< |
5.0 |
nM |
407.48 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCOCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL2390522 |
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 |
CHEMBL2390522 |
single protein format |
CHEMBL4740381 |
OBDepict
CH
3
N
N
N
N
HN
|
IC50 |
= |
18.4 |
nM |
419.53 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2ccccc2n1 |
Homo sapiens |
CHEMBL4727758 |
single protein format |
CHEMBL4788859 |
OBDepict
F
N
N
H
3
C
N
N
HN
|
IC50 |
= |
29.4 |
nM |
437.52 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)ccc2n1 |
Homo sapiens |
CHEMBL4727758 |
single protein format |
CHEMBL4786529 |
OBDepict
F
F
N
N
H
3
C
N
N
HN
|
IC50 |
= |
40.9 |
nM |
455.51 |
Cc1cc(-c2cnc3cc(-c4ccc(N5CCNCC5)cc4)ccn23)c2cc(F)cc(F)c2n1 |
Homo sapiens |
CHEMBL4727758 |
single protein format |
CHEMBL2385597 |
OBDepict
CH
3
O
H
3
C
N
N
N
N
|
IC50 |
= |
47.6 |
nM |
380.45 |
CC(C)Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390522 |
single protein format |
CHEMBL4742906 |
OBDepict
CH
3
N
N
N
NH
HN
|
IC50 |
= |
54.5 |
nM |
419.53 |
Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2ccccc2n1 |
Homo sapiens |
CHEMBL4727758 |
single protein format |
CHEMBL511563 |
OBDepict
CH
3
O
N
N
N
N
|
IC50 |
= |
56.9 |
nM |
352.4 |
COc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390522 |
single protein format |
CHEMBL513147 |
OBDepict
HN
N
N
N
N
N
|
IC50 |
= |
60.0 |
nM |
406.49 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL2390522 |
single protein format |
CHEMBL2385579 |
OBDepict
H
N
N
N
N
N
N
O
|
IC50 |
= |
60.9 |
nM |
346.39 |
c1cc(N2CCOCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1 |
Homo sapiens |
CHEMBL2390522 |
single protein format |
CHEMBL4517408 |
OBDepict
CH
3
O
O
CH
3
O
H
3
C
N
CH
3
N
HN
|
IC50 |
= |
68.0 |
nM |
419.53 |
COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1OC |
Homo sapiens |
CHEMBL4626191 |
single protein format |
CHEMBL2385591 |
OBDepict
HN
N
N
N
N
N
|
IC50 |
= |
92.9 |
nM |
406.49 |
c1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)c2cccnc2c1 |
Homo sapiens |
CHEMBL2390522 |
single protein format |
CHEMBL2385600 |
OBDepict
H
3
C
O
N
N
N
N
N
H
|
IC50 |
= |
102.0 |
nM |
291.31 |
COc1ccc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)cc1 |
Homo sapiens |
CHEMBL2390522 |
single protein format |
CHEMBL1078178 |
OBDepict
N
N
H
O
N
N
N
H
N
O
|
IC50 |
= |
107.0 |
nM |
414.47 |
N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 |
Homo sapiens |
CHEMBL3889145 |
single protein format |
CHEMBL2385586 |
OBDepict
H
N
N
N
N
N
N
HN
|
IC50 |
= |
129.0 |
nM |
345.41 |
c1cc(N2CCNCC2)ccc1-c1cnc2c(-c3cn[nH]c3)cnn2c1 |
Homo sapiens |
CHEMBL2390522 |
single protein format |
CHEMBL4778971 |
OBDepict
F
F
N
N
H
3
C
N
N
H
N
H
|
IC50 |
= |
188.0 |
nM |
455.51 |
Cc1cc(-c2cnc3cc(-c4ccc(C5CNCCN5)cc4)ccn23)c2cc(F)cc(F)c2n1 |
Homo sapiens |
CHEMBL4727758 |
single protein format |
CHEMBL478629 |
OBDepict
N
O
N
N
N
N
|
IC50 |
= |
235.0 |
nM |
399.5 |
c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1 |
Homo sapiens |
CHEMBL2390522 |
single protein format |