Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50210416'   

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))	BDBM50210416 (CHEMBL228738 | N-(2,6-difluorophenyl)-2-(4-hydroxy...) Show SMILES OC1(CCN(CC1)C(C(=O)Nc1c(F)cccc1F)c1ccccc1)c1ccccc1 |w:7.20| Show InChI InChI=1S/C25H24F2N2O2/c26-20-12-7-13-21(27)22(20)28-24(30)23(18-8-3-1-4-9-18)29-16-14-25(31,15-17-29)19-10-5-2-6-11-19/h1-13,23,31H,14-17H2,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 17: 3023-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.061 BindingDB Entry DOI: 10.7270/Q24B3242
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