Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50154207'   

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))	BDBM50154207 (7-[Bis-((E)-3-phenyl-allyl)-amino]-8,8-dimethyl-5,...) Show SMILES CC1(C)C(CCc2ccc(O)cc12)N(C\C=C\c1ccccc1)C\C=C\c1ccccc1 Show InChI InChI=1S/C30H33NO/c1-30(2)28-23-27(32)19-17-26(28)18-20-29(30)31(21-9-15-24-11-5-3-6-12-24)22-10-16-25-13-7-4-8-14-25/h3-17,19,23,29,32H,18,20-22H2,1-2H3/b15-9+,16-10+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells				J Med Chem 47: 5069-75 (2004) Article DOI: 10.1021/jm040807s BindingDB Entry DOI: 10.7270/Q2S46SQB
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