Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50207833'   

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))	BDBM50207833 (CHEMBL246572 | H-Aba-ala-Gly-Phe-Met-OH) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(O)=O Show InChI InChI=1S/C29H37N7O6S2/c1-16(33-26(39)19(30)12-18-8-9-20-23(14-18)44-29(31)36-20)25(38)32-15-24(37)34-22(13-17-6-4-3-5-7-17)27(40)35-21(28(41)42)10-11-43-2/h3-9,14,16,19,21-22H,10-13,15,30H2,1-2H3,(H2,31,36)(H,32,38)(H,33,39)(H,34,37)(H,35,40)(H,41,42)/t16-,19-,21-,22-/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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