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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50008852'   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50008852
PNG
(2-Methyl-acenaphthene-1-carboxylic acid (7-imidazo...)
Show SMILES CC1C(C(=O)N(C)[C@H]2CCC3(CCCO3)C[C@@H]2N2CCNC2)c2cccc3cccc1c23
Show InChI InChI=1S/C27H35N3O2/c1-18-20-8-3-6-19-7-4-9-21(25(19)20)24(18)26(31)29(2)22-10-12-27(11-5-15-32-27)16-23(22)30-14-13-28-17-30/h3-4,6-9,18,22-24,28H,5,10-17H2,1-2H3/t18?,22-,23-,24?,27?/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 1.20n/an/an/an/an/an/an/an/a



Parke-Davis Research Unit

Curated by ChEMBL


Assay Description
Opioid receptor kappa affinity, determined with [3H]etorphine in the presence of excess unlabeled [D-Ala2-MePhe4-Glyol5]-enkephalin

J Med Chem 34: 190-4 (1991)


BindingDB Entry DOI: 10.7270/Q2J103SG
More data for this
Ligand-Target Pair