Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50177701'   

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))	BDBM50177701 (3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-propylpi...) Show SMILES CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1 Show InChI InChI=1S/C24H33NO/c1-4-9-22-17-24(3,21-12-8-13-23(26)16-21)19(2)18-25(22)15-14-20-10-6-5-7-11-20/h5-8,10-13,16,19,22,26H,4,9,14-15,17-18H2,1-3H3/t19-,22+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
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