Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50492999'   

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))	BDBM50492999 (CHEMBL2413879) Show SMILES CN(CCCc1ccccc1)[C@H]1CCCC[C@@H]1OCCCc1ccccc1 |r| Show InChI InChI=1S/C25H35NO/c1-26(20-10-16-22-12-4-2-5-13-22)24-18-8-9-19-25(24)27-21-11-17-23-14-6-3-7-15-23/h2-7,12-15,24-25H,8-11,16-21H2,1H3/t24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 120 mins by liquid scintillation counting				Bioorg Med Chem 21: 4923-7 (2013) Article DOI: 10.1016/j.bmc.2013.06.068 BindingDB Entry DOI: 10.7270/Q2TM7F26
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