Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50495233'   

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))	BDBM50495233 (CHEMBL3104109) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCN(CCCc2cccc3ccccc23)CC1 |r| Show InChI InChI=1S/C28H35N3O2/c1-20-17-24(32)18-21(2)26(20)19-27(29)28(33)31-15-13-30(14-16-31)12-6-10-23-9-5-8-22-7-3-4-11-25(22)23/h3-5,7-9,11,17-18,27,32H,6,10,12-16,19,29H2,1-2H3/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...				Bioorg Med Chem Lett 24: 548-51 (2014) Article DOI: 10.1016/j.bmcl.2013.12.021 BindingDB Entry DOI: 10.7270/Q2TH8QNG
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