Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50250452'   

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))	BDBM50250452 (CHEMBL4074110) Show SMILES [H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-16-13-3-2-6-17(16,20)12(18)9-10-4-5-11(19)15(21-13)14(10)16/h4-5,12-13,19-20H,2-3,6-9H2,1H3/t12-,13+,16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	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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