Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50250451'   

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))	BDBM50250451 (CHEMBL4088589) Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2| Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting				J Med Chem 60: 9407-9412 (2017) Article DOI: 10.1021/acs.jmedchem.7b01363 BindingDB Entry DOI: 10.7270/Q2PZ5C72
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