Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50207834'   

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))	BDBM50207834 (CHEMBL247363 | H-Apa-ala-Gly-Phe-leu-OH) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(N)cc1)C(O)=O Show InChI InChI=1S/C29H40N6O6/c1-17(2)13-24(29(40)41)35-28(39)23(15-19-7-5-4-6-8-19)34-25(36)16-32-26(37)18(3)33-27(38)22(31)14-20-9-11-21(30)12-10-20/h4-12,17-18,22-24H,13-16,30-31H2,1-3H3,(H,32,37)(H,33,38)(H,34,36)(H,35,39)(H,40,41)/t18-,22-,23-,24-/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+4	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 17: 2656-60 (2007) Article DOI: 10.1016/j.bmcl.2007.01.092 BindingDB Entry DOI: 10.7270/Q27S7NGH
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