Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50313163'   

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 (Rattus norvegicus (rat))	BDBM50313163 ((S)-(1,2,3,5,6,8a-hexahydroindolizin-8-yl)(2-hydro...) Show SMILES Cc1cccc(O)c1C(=O)C1=CCCN2CCC[C@@H]12 |r,t:11| Show InChI InChI=1S/C16H19NO2/c1-11-5-2-8-14(18)15(11)16(19)12-6-3-9-17-10-4-7-13(12)17/h2,5-6,8,13,18H,3-4,7,9-10H2,1H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from rat kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 20: 1601-3 (2010) Article DOI: 10.1016/j.bmcl.2010.01.062 BindingDB Entry DOI: 10.7270/Q2K35TRM
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