Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50327267'   

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))	BDBM50327267 (CHEMBL1258724 | endo-3-(8-(1-o-tolylethyl)-8-azabi...) Show SMILES CC(N1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O)c1ccccc1C |r,TLB:1:2:8.7.9:5.4| Show InChI InChI=1S/C23H28N2O2/c1-15-6-3-4-9-22(15)16(2)25-18-10-11-19(25)14-21(13-18)27-20-8-5-7-17(12-20)23(24)26/h3-9,12,16,18-19,21H,10-11,13-14H2,1-2H3,(H2,24,26)/t16?,18-,19+,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	846	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5847-52 (2010) Article DOI: 10.1016/j.bmcl.2010.07.113 BindingDB Entry DOI: 10.7270/Q23F4PV1
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