molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL1242745 |
|
IC50 |
= |
1.3 |
nM |
538.72 |
CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C |
Homo sapiens |
CHEMBL1243914 |
cell-based format |
CHEMBL1242564 |
OBDepict
H
3
C
HO
H
H
3
C
H
H
O
H
OH
H
3
C
CH
3
H
O
H
CH
3
O
H
HO
H
O
H
3
C
HO
O
H
3
C
|
IC50 |
= |
3.3 |
nM |
554.72 |
CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C |
Homo sapiens |
CHEMBL1243914 |
cell-based format |
CHEMBL1242467 |
OBDepict
H
3
C
O
H
3
C
H
H
O
H
CH
3
H
CH
3
H
O
H
CH
3
O
H
HO
H
O
H
3
C
HO
O
H
3
C
|
IC50 |
= |
5.0 |
nM |
536.71 |
CCC(=O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C |
Homo sapiens |
CHEMBL1243914 |
cell-based format |
CHEMBL1242284 |
OBDepict
CH
3
NH
O
O
H
H
3
C
HO
H
CH
3
H
O
H
HO
H
3
C
O
CH
3
H
H
O
H
CH
3
H
HO
H
H
3
C
|
IC50 |
= |
6.6 |
nM |
567.76 |
CCNC(=O)O[C@H]1CC[C@H](C)[C@@H](/C(C)=C/C=C/[C@@H](C)C[C@H]2O[C@@H]2[C@H](C)[C@@H](O)CC)OC(=O)C[C@H](O)CC[C@@]1(C)O |
Homo sapiens |
CHEMBL1243914 |
cell-based format |
CHEMBL1242654 |
OBDepict
H
3
C
HO
H
HO
CH
3
H
O
H
CH
3
H
CH
3
H
O
H
CH
3
O
H
HO
H
O
H
3
C
HO
O
H
3
C
|
IC50 |
= |
58.9 |
nM |
554.72 |
CC[C@H](O)[C@](C)(O)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)CC[C@@H]1C |
Homo sapiens |
CHEMBL1243914 |
cell-based format |
CHEMBL1242841 |
OBDepict
CH
3
HO
H
H
3
C
H
H
O
H
H
3
C
H
CH
3
H
O
H
CH
3
O
H
OH
H
OH
CH
3
HO
|
IC50 |
= |
307.7 |
nM |
496.69 |
CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](O)CC[C@@H]1C |
Homo sapiens |
CHEMBL1243914 |
cell-based format |
CHEMBL99 |
OBDepict
HO
NH
O
CH
3
H
3
C
H
O
N
H
3
C
CH
3
|
IC50 |
= |
611.2 |
nM |
302.37 |
CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 |
Homo sapiens |
CHEMBL1243914 |
cell-based format |