Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50378026'   

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))	BDBM50378026 (CHEMBL1169559) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r| Show InChI InChI=1S/C36H40N6O5/c1-23(43)39-31(20-25-13-6-3-7-14-25)36(47)42-18-10-17-32(42)35(46)41-30(19-24-11-4-2-5-12-24)34(45)40-29(33(37)44)21-26-22-38-28-16-9-8-15-27(26)28/h2-9,11-16,22,29-32,38H,10,17-21H2,1H3,(H2,37,44)(H,39,43)(H,40,45)(H,41,46)/t29-,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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 by cell based assay				Bioorg Med Chem Lett 19: 3647-50 (2009) Article DOI: 10.1016/j.bmcl.2009.04.105 BindingDB Entry DOI: 10.7270/Q2HT2Q8K
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