Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50166732'   

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))	BDBM50166732 ((3S,4aR,6S,8R,8aR)-6-((S)-2-Amino-propionyloxy)-3-...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(=O)[C@H](C)N)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C24H31NO8/c1-12(25)20(27)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(13-6-8-31-11-13)10-24(14,3)19(23)18(16)26/h6,8,11-12,14-17,19H,5,7,9-10,25H2,1-4H3/t12-,14?,15-,16-,17-,19?,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
McLean Hospital Curated by ChEMBL					Assay Description Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2761-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.113 BindingDB Entry DOI: 10.7270/Q2TD9Z3J
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