molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4164183 |
|
IC50 |
= |
0.1 |
nM |
332.53 |
C[C@H](CO)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL352837 |
OBDepict
H
3
C
N
CH
3
O
H
3
C
H
H
CH
3
H
H
H
CH
3
H
HO
|
IC50 |
= |
0.7 |
nM |
401.64 |
C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4174848 |
OBDepict
OH
H
3
C
H
H
CH
3
H
H
H
CH
3
H
HO
|
IC50 |
= |
2.5 |
nM |
332.53 |
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4170755 |
OBDepict
CH
3
+
N
CH
3
H
H
CH
3
H
H
CH
3
H
H
HO
_
I
|
IC50 |
= |
2.9 |
nM |
547.57 |
C[C@H](/C=C/c1cc[n+](C)cc1)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C.[I-] |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4164005 |
OBDepict
HO
H
3
C
H
H
CH
3
H
H
CH
3
H
H
O
O
CH
3
|
IC50 |
= |
3.3 |
nM |
374.57 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CO)C1 |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4167637 |
OBDepict
O
O
H
3
C
H
H
CH
3
H
H
CH
3
H
H
O
O
CH
3
|
IC50 |
= |
4.2 |
nM |
402.58 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)COC=O)C1 |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4159728 |
OBDepict
CH
3
N
H
3
C
O
O
H
3
C
H
H
CH
3
H
H
CH
3
H
H
O
O
CH
3
|
IC50 |
= |
5.5 |
nM |
459.67 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)COC(=O)CN(C)C)C1 |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4164428 |
OBDepict
CH
3
O
O
CH
3
H
H
CH
3
H
H
CH
3
H
H
O
O
H
3
C
|
IC50 |
= |
6.3 |
nM |
442.64 |
C/C=C/C(=O)OC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4167452 |
OBDepict
H
2
N
H
3
C
H
H
CH
3
H
H
CH
3
H
H
O
O
CH
3
|
IC50 |
= |
198.0 |
nM |
373.58 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CN)C1 |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4172305 |
OBDepict
H
3
C
CH
3
O
O
CH
3
H
H
CH
3
H
H
CH
3
H
H
O
O
H
3
C
|
IC50 |
= |
203.0 |
nM |
456.67 |
C/C=C(C)C(=O)OC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4173086 |
OBDepict
H
3
C
O
N
H
O
CH
3
H
H
CH
3
H
H
CH
3
H
H
O
O
CH
3
|
IC50 |
= |
805.0 |
nM |
417.59 |
CONC(=O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
Homo sapiens |
CHEMBL4134393 |
cell-based format |
CHEMBL4162816 |
OBDepict
CH
3
N
H
O
CH
3
H
H
CH
3
H
H
CH
3
H
H
O
O
H
3
C
|
IC50 |
= |
823.0 |
nM |
401.59 |
CNC(=O)[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
Homo sapiens |
CHEMBL4134393 |
cell-based format |