molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL463145 |
|
IC50 |
= |
23.0 |
nM |
286.24 |
O=c1cc(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12 |
Homo sapiens |
CHEMBL4136573 |
single protein format |
CHEMBL24152 |
OBDepict
O
HN
O
H
O
O
O
O
O
OH
O
HO
|
IC50 |
= |
60.0 |
nM |
457.39 |
O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc(=O)c(O)co1)OCc1cc(=O)c(O)co1 |
Homo sapiens |
CHEMBL813551 |
single protein format |
CHEMBL394855 |
OBDepict
HO
OH
O
HO
OH
|
IC50 |
= |
70.0 |
nM |
272.26 |
O=C(/C=C/c1ccc(O)cc1O)c1ccc(O)cc1O |
Homo sapiens |
CHEMBL4411347 |
single protein format |
CHEMBL465880 |
OBDepict
H
3
C
CH
3
OH
HO
O
OH
HO
|
IC50 |
= |
80.0 |
nM |
340.38 |
CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1O |
Homo sapiens |
CHEMBL4411347 |
single protein format |
CHEMBL480477 |
OBDepict
HO
OH
H
O
O
CH
3
CH
3
|
IC50 |
= |
90.0 |
nM |
324.38 |
CC1(C)C=Cc2c(ccc3c2OC[C@@H](c2ccc(O)cc2O)C3)O1 |
Homo sapiens |
CHEMBL4053414 |
single protein format |
CHEMBL43065 |
OBDepict
OH
OH
HO
OH
|
IC50 |
= |
90.0 |
nM |
244.25 |
Oc1cc(O)cc(/C=C/c2ccc(O)cc2O)c1 |
Homo sapiens |
CHEMBL4723116 |
cell-based format |
CHEMBL1563332 |
OBDepict
H
3
C
O
O
O
H
CH
3
CH
3
H
3
C
HO
OH
|
IC50 |
= |
154.0 |
nM |
370.45 |
COc1cc2c(c(OC)c1CC=C(C)C)C[C@H](c1ccc(O)cc1O)CO2 |
Homo sapiens |
CHEMBL3810649 |
single protein format |
CHEMBL4239110 |
OBDepict
OH
CH
3
OH
OH
O
OH
HO
|
IC50 |
= |
170.0 |
nM |
356.37 |
C/C(=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1O)CO |
Homo sapiens |
CHEMBL4411347 |
single protein format |
CHEMBL1630857 |
OBDepict
H
3
C
O
O
HO
H
CH
3
H
3
C
HO
OH
|
IC50 |
= |
177.0 |
nM |
356.42 |
COc1c(CC=C(C)C)c(O)cc2c1C[C@H](c1ccc(O)cc1O)CO2 |
Homo sapiens |
CHEMBL3810649 |
single protein format |
CHEMBL4743159 |
OBDepict
O
N
H
CH
3
CH
3
S
N
OH
HO
|
Ki |
= |
250.0 |
nM |
278.33 |
CC(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1 |
Homo sapiens |
CHEMBL4723093 |
cell-based format |
CHEMBL3978212 |
OBDepict
HO
O
O
N
OH
O
|
Ki |
= |
350.0 |
nM |
271.23 |
O=C1/C(=C/c2ccc(=O)n(O)c2)Oc2cc(O)ccc21 |
Homo sapiens |
CHEMBL3871139 |
cell-based format |
CHEMBL499124 |
OBDepict
OH
OH
OH
HO
|
IC50 |
= |
370.0 |
nM |
246.26 |
Oc1ccc(CCc2ccc(O)cc2O)c(O)c1 |
Homo sapiens |
CHEMBL1764166 |
single protein format |
CHEMBL491410 |
OBDepict
OH
OH
OH
O
H
O
H
OH
H
HO
H
HO
|
IC50 |
= |
430.0 |
nM |
378.38 |
Oc1ccc(CCc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2O)c(O)c1 |
Homo sapiens |
CHEMBL1764166 |
single protein format |
CHEMBL443605 |
OBDepict
CH
3
HO
OH
|
IC50 |
= |
560.0 |
nM |
194.27 |
CCCCCCc1ccc(O)cc1O |
Homo sapiens |
CHEMBL3619576 |
single protein format |
CHEMBL1760463 |
OBDepict
OH
H
O
H
O
H
O
H
OH
H
HO
H
O
H
OH
H
H
OH
HO
OH
H
OH
OH
HO
|
IC50 |
= |
680.0 |
nM |
570.54 |
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3ccc(CCc4ccc(O)cc4O)c(O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1764166 |
single protein format |
CHEMBL1794031 |
OBDepict
CH
3
H
3
C
H
N
H
H
O
O
O
O
O
O
O
OH
O
OH
|
IC50 |
= |
700.0 |
nM |
423.37 |
CC[C@H](C)[C@H](NC(=O)OCc1cc(=O)c(O)co1)C(=O)OCc1cc(=O)c(O)co1 |
Homo sapiens |
CHEMBL813551 |
single protein format |
CHEMBL489989 |
OBDepict
HO
OH
O
O
H
O
H
OH
H
O
H
OH
H
OH
H
OH
H
HO
H
HO
|
IC50 |
= |
730.0 |
nM |
510.49 |
Oc1ccc(CCc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 |
Homo sapiens |
CHEMBL1764166 |
single protein format |
CHEMBL1760462 |
OBDepict
OH
H
O
H
OH
H
O
H
OH
H
HO
OH
OH
HO
|
IC50 |
= |
770.0 |
nM |
408.4 |
OC[C@H]1O[C@@H](Oc2ccc(CCc3ccc(O)cc3O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1764166 |
single protein format |
CHEMBL1760464 |
OBDepict
OH
H
O
H
O
H
O
H
OH
H
HO
H
O
H
OH
H
H
OH
HO
OH
H
OH
OH
HO
|
IC50 |
= |
830.0 |
nM |
570.54 |
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3ccc(CCc4ccc(O)cc4O)c(O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1764166 |
single protein format |
CHEMBL458395 |
OBDepict
OH
HO
H
O
O
HO
OH
|
IC50 |
= |
980.0 |
nM |
288.25 |
O=C1C[C@@H](c2ccc(O)cc2O)Oc2cc(O)cc(O)c21 |
Homo sapiens |
CHEMBL4411347 |
single protein format |
CHEMBL218924 |
OBDepict
H
3
C
O
O
H
OH
CH
3
O
H
3
C
|
IC50 |
= |
1000.0 |
nM |
340.5 |
CCCCCCCCCCCCC/C=C1C(=O)O[C@@](C)(OC)[C@@H]1O |
Homo sapiens |
CHEMBL4723094 |
cell-based format |
CHEMBL150 |
OBDepict
OH
O
OH
O
HO
OH
|
IC50 |
= |
1000.0 |
nM |
286.24 |
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 |
Homo sapiens |
CHEMBL3810649 |
single protein format |
CHEMBL4473314 |
OBDepict
CH
3
O
O
H
HO
CH
2
|
IC50 |
= |
1000.0 |
nM |
308.46 |
C=C1OC(=O)/C(=CCCCCCCCCCCCCC)[C@H]1O |
Homo sapiens |
CHEMBL4723094 |
cell-based format |