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BDBM50385763 CHEMBL2043316

SMILES: COc1ccc(C(O)=O)c(Nc2cccc(C)c2)c1

InChI Key: InChIKey=CKNAJSIREWUAJH-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50385763   
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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50385763
PNG
(CHEMBL2043316)
Show SMILES COc1ccc(C(O)=O)c(Nc2cccc(C)c2)c1
Show InChI InChI=1S/C15H15NO3/c1-10-4-3-5-11(8-10)16-14-9-12(19-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 640n/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)

More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50385763
PNG
(CHEMBL2043316)
Show SMILES COc1ccc(C(O)=O)c(Nc2cccc(C)c2)c1
Show InChI InChI=1S/C15H15NO3/c1-10-4-3-5-11(8-10)16-14-9-12(19-2)6-7-13(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 870n/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)

More data for this
Ligand-Target Pair