Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50268466'   

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))	BDBM50268466 (CHEMBL510506 | c[L-mTyr-D-pro-L-Phe-D-trp]) Show SMILES Oc1cccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3C2=O)c1 |r| Show InChI InChI=1S/C34H35N5O5/c40-24-11-6-10-22(16-24)18-29-34(44)39-15-7-14-30(39)33(43)37-27(17-21-8-2-1-3-9-21)31(41)36-28(32(42)38-29)19-23-20-35-26-13-5-4-12-25(23)26/h1-6,8-13,16,20,27-30,35,40H,7,14-15,17-19H2,(H,36,41)(H,37,43)(H,38,42)/t27-,28+,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	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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