molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL4476476 |
|
IC50 |
= |
1.0 |
nM |
246.35 |
CCC[C@H]1OC(=O)[C@@H]1CCCCc1ccccc1 |
Homo sapiens |
CHEMBL4401976 |
single protein format |
CHEMBL6223 |
OBDepict
I
O
O
|
IC50 |
= |
30.0 |
nM |
364.18 |
O=C1O/C(=C/I)CCC1c1cccc2ccccc12 |
Homo sapiens |
CHEMBL760624 |
tissue-based format |
CHEMBL89506 |
OBDepict
CH
3
S
O
F
F
F
|
IC50 |
= |
63.0 |
nM |
256.33 |
CCCCCCCCSCC(=O)C(F)(F)F |
Homo sapiens |
CHEMBL4413446 |
single protein format |
CHEMBL269758 |
OBDepict
CH
O
O
|
IC50 |
= |
95.0 |
nM |
262.31 |
C#C/C=C1CCC(c2cccc3ccccc23)C(=O)O1 |
Homo sapiens |
CHEMBL760624 |
tissue-based format |
CHEMBL6206 |
OBDepict
Br
O
O
|
IC50 |
= |
140.0 |
nM |
317.18 |
O=C1O/C(=C/Br)CCC1c1cccc2ccccc12 |
Homo sapiens |
CHEMBL760624 |
tissue-based format |
CHEMBL6228 |
OBDepict
I
O
O
|
IC50 |
= |
190.0 |
nM |
364.18 |
O=C1O/C(=CI)CCC1c1cccc2ccccc12 |
Homo sapiens |
CHEMBL760624 |
tissue-based format |
CHEMBL148674 |
OBDepict
H
3
C
N
O
O
H
2
N
O
O
OH
|
IC50 |
= |
590.0 |
nM |
380.4 |
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
Homo sapiens |
CHEMBL4413446 |
single protein format |