molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4796516 |
|
IC50 |
= |
64.0 |
nM |
419.49 |
O=c1ccc(CN2CCN([C@H]3CC[C@@H](c4cccc(C(F)(F)F)c4)CC3)CC2)c[nH]1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4777551 |
OBDepict
H
N
O
N
N
H
HO
F
F
F
|
IC50 |
= |
82.0 |
nM |
435.49 |
O=c1ccc(CN2CCN([C@H]3CC[C@@](O)(c4cccc(C(F)(F)F)c4)CC3)CC2)c[nH]1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4789936 |
OBDepict
O
N
H
N
N
H
HO
F
F
F
|
IC50 |
= |
130.0 |
nM |
435.49 |
O=c1ccc(CN2CCN([C@H]3CC[C@@](O)(c4ccccc4C(F)(F)F)CC3)CC2)c[nH]1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4740003 |
OBDepict
CH
3
H
H
N
N
N
H
O
|
IC50 |
= |
150.0 |
nM |
365.52 |
Cc1cccc([C@H]2CC[C@@H](N3CCN(Cc4ccc(=O)[nH]c4)CC3)CC2)c1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4760109 |
OBDepict
Br
N
N
N
H
H
|
IC50 |
= |
170.0 |
nM |
414.39 |
Brc1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)cn1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4435596 |
OBDepict
H
3
C
H
H
N
N
N
|
IC50 |
= |
320.0 |
nM |
335.5 |
Cc1cccc([C@H]2CC[C@@H](N3CCN(c4cccnc4)CC3)CC2)c1 |
Homo sapiens |
CHEMBL4308175 |
cell-based format |
CHEMBL4762249 |
OBDepict
O
N
H
N
N
H
H
|
IC50 |
= |
370.0 |
nM |
351.49 |
O=c1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)c[nH]1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4761058 |
OBDepict
CH
3
O
OH
N
O
N
H
H
|
IC50 |
= |
430.0 |
nM |
394.52 |
COc1cc(C(=O)N2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)ccc1O |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4746237 |
OBDepict
CH
3
O
N
N
N
H
H
|
IC50 |
= |
550.0 |
nM |
365.52 |
COc1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)cn1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4475503 |
OBDepict
H
N
H
N
N
|
IC50 |
= |
550.0 |
nM |
335.5 |
c1ccc([C@H]2CC[C@@H](N3CCN(Cc4cccnc4)CC3)CC2)cc1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4470714 |
OBDepict
H
N
H
N
N
N
N
|
IC50 |
= |
600.0 |
nM |
439.61 |
c1ccc(/N=Nc2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cn2)cc1 |
Homo sapiens |
CHEMBL4308169 |
cell-based format |
CHEMBL4448267 |
OBDepict
H
N
H
N
N
N
N
|
IC50 |
= |
600.0 |
nM |
439.61 |
c1ccc(/N=N/c2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cn2)cc1 |
Homo sapiens |
CHEMBL4308166 |
cell-based format |
CHEMBL4789446 |
OBDepict
O
N
N
H
N
O
H
H
|
IC50 |
= |
600.0 |
nM |
365.48 |
O=C(c1ccc(=O)[nH]c1)N1CCN([C@H]2CC[C@@H](c3ccccc3)CC2)CC1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |
CHEMBL4742895 |
OBDepict
O
N
H
N
N
H
H
F
F
F
|
IC50 |
= |
690.0 |
nM |
419.49 |
O=c1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4C(F)(F)F)CC3)CC2)c[nH]1 |
Homo sapiens |
CHEMBL4680527 |
cell-based format |