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BDBM50385756 CHEMBL2040995

SMILES: COc1cccc(Nc2ccc(cc2C(O)=O)C(C)=O)c1

InChI Key: InChIKey=QKELZVJWVUSZGM-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50385756   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldo-keto reductase family 1 member C2


(Homo sapiens (Human))
BDBM50385756
PNG
(CHEMBL2040995)
Show SMILES COc1cccc(Nc2ccc(cc2C(O)=O)C(C)=O)c1
Show InChI InChI=1S/C16H15NO4/c1-10(18)11-6-7-15(14(8-11)16(19)20)17-12-4-3-5-13(9-12)21-2/h3-9,17H,1-2H3,(H,19,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.58E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (Human))
BDBM50385756
PNG
(CHEMBL2040995)
Show SMILES COc1cccc(Nc2ccc(cc2C(O)=O)C(C)=O)c1
Show InChI InChI=1S/C16H15NO4/c1-10(18)11-6-7-15(14(8-11)16(19)20)17-12-4-3-5-13(9-12)21-2/h3-9,17H,1-2H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.26E+3n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay


J Med Chem 55: 2311-23 (2012)


Article DOI: 10.1021/jm201547v
BindingDB Entry DOI: 10.7270/Q2C24XGP
More data for this
Ligand-Target Pair