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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyphenol oxidase 2' and Ligand = 'BDBM50446574'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50446574
PNG
(CHEMBL3109438)
Show SMILES COc1c(O)cc(cc1O)-c1oc2cc(O)cc(=O)c2c(O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-23,25-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1
UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.10E+5n/an/an/an/an/an/a



University of Pretoria

Curated by ChEMBL


Assay Description
Binding affinity of compound against Phencyclidine receptor by displacement of [3H]TCP

J Nat Prod 81: 49-56 (2018)


Article DOI: 10.1021/acs.jnatprod.7b00564
BindingDB Entry DOI: 10.7270/Q2H70JBS
More data for this
Ligand-Target Pair