molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1770248 |
|
IC50 |
= |
0.877 |
nM |
436.89 |
CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1 |
Homo sapiens |
CHEMBL1772493 |
cell-based format |
CHEMBL1770246 |
OBDepict
HO
O
O
H
OH
H
HO
H
HO
Cl
O
H
3
C
|
IC50 |
= |
0.882 |
nM |
422.86 |
COc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1 |
Homo sapiens |
CHEMBL1772493 |
cell-based format |
CHEMBL1770244 |
OBDepict
HO
O
O
H
OH
H
HO
H
HO
CH
3
O
H
3
C
|
IC50 |
= |
1.07 |
nM |
402.44 |
COc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2C)cc1 |
Homo sapiens |
CHEMBL1772493 |
cell-based format |
CHEMBL1770245 |
OBDepict
CH
3
O
CH
3
O
O
H
HO
H
HO
OH
H
HO
|
IC50 |
= |
1.11 |
nM |
416.47 |
CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2C)cc1 |
Homo sapiens |
CHEMBL1772493 |
cell-based format |
CHEMBL429910 |
OBDepict
CH
3
O
Cl
H
O
H
OH
H
H
HO
HO
H
HO
|
IC50 |
= |
1.35 |
nM |
408.88 |
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 |
Homo sapiens |
CHEMBL1780754 |
cell-based format |
CHEMBL270766 |
OBDepict
CH
3
O
O
H
O
H
OH
H
H
HO
HO
H
HO
|
IC50 |
= |
4.8 |
nM |
376.41 |
COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1090058 |
OBDepict
H
3
C
O
H
3
C
H
O
H
OH
H
OH
O
H
HO
|
IC50 |
= |
6.98 |
nM |
386.44 |
COc1ccc(Cc2cc([C@@H]3OC4(COC4)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1 |
Homo sapiens |
CHEMBL1772493 |
cell-based format |
CHEMBL1819489 |
OBDepict
OH
H
H
OH
H
O
H
HO
H
HO
|
IC50 |
= |
11.0 |
nM |
384.47 |
OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(C3CC3)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL245067 |
OBDepict
HO
H
O
H
HO
H
O
H
OH
H
OH
OH
O
OH
OH
|
IC50 |
= |
16.0 |
nM |
436.41 |
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819492 |
OBDepict
CH
3
S
O
H
H
OH
H
H
HO
HO
H
HO
|
IC50 |
= |
19.0 |
nM |
390.5 |
CSc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819486 |
OBDepict
CH
3
O
H
H
OH
H
H
HO
HO
H
HO
|
IC50 |
= |
28.0 |
nM |
372.46 |
CCc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819490 |
OBDepict
CH
2
O
H
H
OH
H
H
HO
HO
H
HO
|
IC50 |
= |
29.0 |
nM |
370.45 |
C=Cc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819491 |
OBDepict
CH
3
O
O
H
H
OH
H
H
HO
HO
H
HO
|
IC50 |
= |
42.0 |
nM |
374.43 |
COc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1770247 |
OBDepict
HO
O
O
H
OH
H
HO
H
HO
Cl
O
H
3
C
|
IC50 |
= |
43.1 |
nM |
422.86 |
COc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@@H]4O)ccc2Cl)cc1 |
Homo sapiens |
CHEMBL1772493 |
cell-based format |
CHEMBL1819485 |
OBDepict
HO
H
H
HO
H
O
H
OH
H
OH
CH
3
|
IC50 |
= |
59.0 |
nM |
358.43 |
Cc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1778657 |
OBDepict
CH
3
O
H
O
H
OH
H
H
OH
HO
H
HO
|
IC50 |
= |
59.5 |
nM |
414.5 |
CC/C=C/COc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1 |
Homo sapiens |
CHEMBL1780754 |
cell-based format |
CHEMBL1778794 |
OBDepict
OH
H
O
H
OH
H
H
OH
H
HO
O
|
IC50 |
= |
81.9 |
nM |
428.53 |
OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OCCCCCC3)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1780754 |
cell-based format |
CHEMBL1778658 |
OBDepict
OH
H
O
H
OH
H
H
OH
H
HO
O
|
IC50 |
= |
89.6 |
nM |
426.51 |
OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OC/C=C/CCC3)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1780754 |
cell-based format |
CHEMBL1770249 |
OBDepict
CH
3
O
Cl
O
O
H
HO
H
HO
OH
H
HO
|
IC50 |
= |
89.9 |
nM |
436.89 |
CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@@H]4O)ccc2Cl)cc1 |
Homo sapiens |
CHEMBL1772493 |
cell-based format |
CHEMBL1778795 |
OBDepict
HO
H
O
H
OH
H
H
OH
H
HO
O
|
IC50 |
= |
99.7 |
nM |
442.55 |
OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OCCCCCCC3)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1780754 |
cell-based format |
CHEMBL1778659 |
OBDepict
HO
H
O
H
OH
H
H
OH
H
HO
O
|
IC50 |
= |
103.0 |
nM |
440.54 |
OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OC/C=C/CCCC3)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1780754 |
cell-based format |
CHEMBL1817688 |
OBDepict
H
3
C
O
O
H
H
OH
H
H
HO
OH
H
HO
|
IC50 |
= |
110.0 |
nM |
388.46 |
CCOc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819496 |
OBDepict
OH
H
H
OH
H
O
H
HO
H
HO
F
F
F
|
IC50 |
= |
120.0 |
nM |
412.4 |
OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819487 |
OBDepict
H
3
C
O
H
H
OH
H
H
HO
OH
H
HO
|
IC50 |
= |
120.0 |
nM |
386.49 |
CCCc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819495 |
OBDepict
OH
H
H
OH
H
O
H
HO
H
HO
Cl
|
IC50 |
= |
150.0 |
nM |
378.85 |
OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819488 |
OBDepict
HO
H
H
HO
H
O
H
OH
H
OH
CH
3
CH
3
|
IC50 |
= |
150.0 |
nM |
386.49 |
CC(C)c1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL450044 |
OBDepict
CH
3
O
O
O
H
O
H
OH
H
O
H
OH
H
OH
O
CH
3
|
IC50 |
= |
260.0 |
nM |
448.47 |
CCOC(=O)OC[C@H]1O[C@@H](Oc2ccccc2Cc2ccc(OC)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819493 |
OBDepict
OH
H
H
OH
H
O
H
HO
H
HO
HO
|
IC50 |
= |
290.0 |
nM |
360.41 |
OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819494 |
OBDepict
OH
H
H
OH
H
O
H
HO
H
HO
F
|
IC50 |
= |
630.0 |
nM |
362.4 |
OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1821169 |
cell-based format |
CHEMBL1819484 |
OBDepict
OH
H
H
OH
H
O
H
HO
H
HO
|
IC50 |
= |
690.0 |
nM |
344.41 |
OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |
Homo sapiens |
CHEMBL1821169 |
cell-based format |