Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50207827'   

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))	BDBM50207827 (CHEMBL392275 | H-mCpa-Gly-Gly-Phe-Leu-OH) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1cccc(c1)C(N)=O)C(O)=O Show InChI InChI=1S/C29H38N6O7/c1-17(2)11-23(29(41)42)35-28(40)22(14-18-7-4-3-5-8-18)34-25(37)16-32-24(36)15-33-27(39)21(30)13-19-9-6-10-20(12-19)26(31)38/h3-10,12,17,21-23H,11,13-16,30H2,1-2H3,(H2,31,38)(H,32,36)(H,33,39)(H,34,37)(H,35,40)(H,41,42)/t21-,22-,23-/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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