molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4800264 |
|
IC50 |
= |
2.6 |
nM |
319.41 |
COc1cccc2cc(N(C)c3nc(C)nc4c3CCC4)ccc12 |
Homo sapiens |
CHEMBL4688370 |
cell-based format |
CHEMBL67 |
OBDepict
CH
3
O
O
CH
3
O
H
3
C
HO
O
H
3
C
|
IC50 |
= |
5.2 |
nM |
316.35 |
COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1O |
Homo sapiens |
CHEMBL2396366 |
cell-based format |
CHEMBL2425924 |
OBDepict
CH
3
O
N
CH
3
N
CH
3
N
ClH
|
IC50 |
= |
8.2 |
nM |
305.81 |
COc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1.Cl |
Homo sapiens |
CHEMBL2428597 |
cell-based format |
CHEMBL3040513 |
OBDepict
CH
3
O
N
CH
3
N
CH
3
N
|
IC50 |
= |
9.6 |
nM |
269.35 |
COc1ccc(N(C)c2nc(C)nc3c2CCC3)cc1 |
Homo sapiens |
CHEMBL4688370 |
cell-based format |
CHEMBL4758455 |
OBDepict
CH
3
O
N
CH
3
N
NH
2
N
|
IC50 |
= |
9.6 |
nM |
320.4 |
COc1cccc2cc(N(C)c3nc(N)nc4c3CCC4)ccc12 |
Homo sapiens |
CHEMBL4688370 |
cell-based format |
CHEMBL2391704 |
OBDepict
CH
3
O
N
H
3
C
N
NH
2
N
N
H
|
IC50 |
= |
18.8 |
nM |
333.4 |
CCOc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1 |
Homo sapiens |
CHEMBL2396366 |
cell-based format |
CHEMBL2391709 |
OBDepict
CH
3
O
N
H
3
C
N
NH
2
N
N
H
|
IC50 |
= |
21.4 |
nM |
319.37 |
COc1ccc(N(C)c2nc(N)nc3[nH]c4ccccc4c23)cc1 |
Homo sapiens |
CHEMBL2396366 |
cell-based format |
CHEMBL1824506 |
OBDepict
CH
3
O
N
CH
3
N
CH
3
N
H
3
C
ClH
|
IC50 |
= |
23.9 |
nM |
319.84 |
COc1ccc(N(C)c2nc(C)nc3c2CC(C)C3)cc1.Cl |
Homo sapiens |
CHEMBL2428597 |
cell-based format |
CHEMBL4763551 |
OBDepict
CH
3
O
N
CH
3
N
N
|
IC50 |
= |
43.0 |
nM |
305.38 |
COc1cccc2cc(N(C)c3ncnc4c3CCC4)ccc12 |
Homo sapiens |
CHEMBL4688370 |
cell-based format |
CHEMBL2391703 |
OBDepict
CH
3
N
N
H
2
N
N
N
H
O
CH
3
|
IC50 |
= |
45.5 |
nM |
333.4 |
CCN(c1ccc(OC)cc1)c1nc(N)nc2[nH]c3ccccc3c12 |
Homo sapiens |
CHEMBL2396366 |
cell-based format |
CHEMBL4751710 |
OBDepict
CH
3
O
N
CH
3
N
CH
3
N
|
IC50 |
= |
180.0 |
nM |
319.41 |
COc1ccc(N(C)c2nc(C)nc3c2CCC3)c2ccccc12 |
Homo sapiens |
CHEMBL4688370 |
cell-based format |
CHEMBL4791869 |
OBDepict
CH
3
O
N
CH
3
N
CH
3
N
|
IC50 |
= |
780.0 |
nM |
319.41 |
COc1cccc2c(N(C)c3nc(C)nc4c3CCC4)cccc12 |
Homo sapiens |
CHEMBL4688370 |
cell-based format |