molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4741134 |
|
IC50 |
= |
55.0 |
nM |
419.49 |
CCOc1ccc(-n2nnc3cnc(Nc4cnn(C5CCN(C)CC5)c4)nc32)cc1 |
Homo sapiens |
CHEMBL4702185 |
cell-based format |
CHEMBL4755149 |
OBDepict
CH
3
O
N
N
N
N
N
NH
H
N
N
|
IC50 |
= |
93.0 |
nM |
388.44 |
COc1ccc(-n2nnc3cnc(N[C@@H]4CCN(c5ccncc5)C4)nc32)cc1 |
Homo sapiens |
CHEMBL4702185 |
cell-based format |
CHEMBL4786970 |
OBDepict
CH
3
N
N
N
N
H
N
N
N
N
N
N
N
H
3
C
|
IC50 |
= |
110.0 |
nM |
379.43 |
CN1CCC(n2cc(Nc3ncc4nnn(-c5ccn(C)n5)c4n3)cn2)CC1 |
Homo sapiens |
CHEMBL4702185 |
cell-based format |
CHEMBL4784697 |
OBDepict
NH
2
H
H
N
H
N
N
N
N
N
O
CH
3
|
IC50 |
= |
227.0 |
nM |
353.43 |
COc1ccc(-n2nnc3cnc(N[C@H]4CC[C@H](CN)CC4)nc32)cc1 |
Homo sapiens |
CHEMBL4702185 |
cell-based format |
CHEMBL4757911 |
OBDepict
N
N
F
N
N
N
N
N
H
N
N
N
H
3
C
|
IC50 |
= |
244.0 |
nM |
418.44 |
CN1CCC(n2cc(Nc3ncc4nnn(-c5ccc(F)cc5C#N)c4n3)cn2)CC1 |
Homo sapiens |
CHEMBL4702185 |
cell-based format |
CHEMBL4740226 |
OBDepict
CH
3
O
N
N
N
N
N
HN
H
H
NH
2
|
IC50 |
= |
274.0 |
nM |
325.38 |
COc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@@H](N)C4)nc32)cc1 |
Homo sapiens |
CHEMBL4702185 |
cell-based format |
CHEMBL4759319 |
OBDepict
H
3
C
O
N
N
N
N
N
N
H
H
H
NH
2
|
IC50 |
= |
504.0 |
nM |
339.4 |
COc1ccc(-n2nnc3cnc(N[C@H]4CC[C@H](N)CC4)nc32)cc1 |
Homo sapiens |
CHEMBL4702185 |
cell-based format |
CHEMBL4753751 |
OBDepict
CH
3
O
N
N
N
N
N
HN
H
H
NH
2
|
IC50 |
= |
1000.0 |
nM |
325.38 |
COc1ccc(-n2nnc3cnc(N[C@@H]4CC[C@H](N)C4)nc32)cc1 |
Homo sapiens |
CHEMBL4702186 |
cell-based format |