Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50217955'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50217955 ((1R,5R)-(+)-5-(3-hydroxyphenyl)-9-oxo-2-phenylethy...) Show SMILES Oc1cccc(c1)[C@@]12CCC[C@@H](N(CCc3ccccc3)CC1)C2=O |TLB:24:23:8.9.10:12.21.22| Show InChI InChI=1S/C22H25NO2/c24-19-9-4-8-18(16-19)22-12-5-10-20(21(22)25)23(15-13-22)14-11-17-6-2-1-3-7-17/h1-4,6-9,16,20,24H,5,10-15H2/t20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3765-76 (2007) Article DOI: 10.1021/jm061325e BindingDB Entry DOI: 10.7270/Q2D21XB2
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