molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4857096 |
|
IC50 |
= |
2.3 |
nM |
553.45 |
COc1cncc2c1[C@]1(O)[C@@H](CNC3COC3)[C@H](CO)[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2 |
Homo sapiens |
CHEMBL4837021 |
single protein format |
CHEMBL438139 |
OBDepict
CH
3
O
O
OH
H
H
HO
H
O
N
O
O
CH
3
CH
3
H
3
C
CH
3
|
IC50 |
= |
4.7 |
nM |
505.57 |
COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1 |
Homo sapiens |
CHEMBL4616486 |
cell-based format |
CHEMBL4864162 |
OBDepict
NH
2
H
OH
H
O
O
N
CH
3
Br
|
IC50 |
= |
5.0 |
nM |
467.36 |
COc1cncc2c1[C@]1(O)[C@@H](CN)C[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2 |
Homo sapiens |
CHEMBL4837021 |
single protein format |
CHEMBL4855528 |
OBDepict
NH
2
H
OH
H
O
O
N
CH
3
N
|
IC50 |
= |
5.6 |
nM |
413.48 |
COc1cncc2c1[C@]1(O)[C@@H](CN)C[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2 |
Homo sapiens |
CHEMBL4837021 |
single protein format |
CHEMBL4303782 |
OBDepict
CH
3
O
N
O
O
CH
3
OH
H
H
HO
H
N
H
3
C
CH
3
N
|
IC50 |
= |
6.3 |
nM |
487.56 |
COc1cc2c(c(OC)n1)[C@]1(O)[C@H](O)[C@H](CN(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(C#N)cc1)O2 |
Homo sapiens |
CHEMBL4616497 |
cell-based format |
CHEMBL4849769 |
OBDepict
CH
3
O
N
O
OH
H
H
N
H
OH
Br
O
|
IC50 |
= |
10.0 |
nM |
567.48 |
COc1cncc2c1[C@]1(O)[C@@H](CN3CCOCC3)[C@H](CO)[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2 |
Homo sapiens |
CHEMBL4837021 |
single protein format |
CHEMBL2058177 |
OBDepict
CH
3
O
NH
O
H
H
H
OH
O
HO
O
H
3
C
O
O
H
3
C
H
3
C
|
IC50 |
= |
20.0 |
nM |
507.54 |
CONC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc(OC)c3[C@]2(O)[C@@H]1O |
Homo sapiens |
CHEMBL2060259 |
cell-based format |
CHEMBL4875109 |
OBDepict
CH
3
O
N
O
OH
H
H
NH
2
H
OH
Br
|
IC50 |
= |
25.0 |
nM |
497.39 |
COc1cncc2c1[C@]1(O)[C@@H](CN)[C@H](CO)[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2 |
Homo sapiens |
CHEMBL4837021 |
single protein format |
CHEMBL123292 |
OBDepict
O
HN
O
HO
H
H
O
H
CH
3
H
CH
3
|
IC50 |
= |
226.0 |
nM |
281.35 |
C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1 |
Homo sapiens |
CHEMBL4616486 |
cell-based format |
CHEMBL1098427 |
OBDepict
H
OH
H
CH
3
H
H
OH
H
H
CH
3
H
H
O
CH
3
HO
O
H
H
3
C
CH
3
H
3
C
|
IC50 |
= |
426.0 |
nM |
462.67 |
C[C@H]1C[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]4(C)[C@H]3[C@@]2(C)O)OC1(C)C |
Homo sapiens |
CHEMBL4616486 |
cell-based format |