molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL513147 |
|
IC50 |
= |
4.9 |
nM |
406.49 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL467972 |
OBDepict
HN
N
N
N
N
|
IC50 |
= |
5.0 |
nM |
405.51 |
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)ccc34)ccnc2c1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL469053 |
OBDepict
CH
3
N
N
O
N
N
N
N
|
IC50 |
= |
10.0 |
nM |
464.57 |
CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL511563 |
OBDepict
CH
3
O
N
N
N
N
|
IC50 |
= |
55.0 |
nM |
352.4 |
COc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL469054 |
OBDepict
N
O
N
N
N
N
|
IC50 |
= |
90.0 |
nM |
449.56 |
c1ccc2c(-c3cnn4cc(-c5ccc(OCCN6CCCCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL467560 |
OBDepict
CH
3
O
N
N
N
|
IC50 |
= |
150.0 |
nM |
351.41 |
COc1ccc(-c2ccc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL467345 |
OBDepict
OH
N
N
N
N
|
IC50 |
= |
250.0 |
nM |
338.37 |
Oc1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL468399 |
OBDepict
Cl
N
N
N
N
N
HN
|
IC50 |
= |
350.0 |
nM |
440.94 |
Clc1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL478629 |
OBDepict
N
O
N
N
N
N
|
IC50 |
= |
430.0 |
nM |
399.5 |
c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL466765 |
OBDepict
CH
3
N
N
O
N
N
N
N
|
IC50 |
= |
450.0 |
nM |
414.51 |
CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccncc5)cnn4c3)cc2)CC1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL511929 |
OBDepict
CH
3
O
N
N
N
N
Cl
|
IC50 |
= |
500.0 |
nM |
386.84 |
COc1ccc(-c2cnc3c(-c4ccnc5cc(Cl)ccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL511216 |
OBDepict
H
3
C
N
H
3
C
O
N
N
N
N
|
IC50 |
= |
500.0 |
nM |
387.49 |
CCN(CC)CCOc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1 |
Homo sapiens |
CHEMBL989154 |
single protein format |
CHEMBL469055 |
OBDepict
N
N
N
N
|
IC50 |
= |
750.0 |
nM |
322.37 |
c1ccc(-c2cnc3c(-c4ccnc5ccccc45)cnn3c2)cc1 |
Homo sapiens |
CHEMBL989154 |
single protein format |