Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50108441'   

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))	BDBM50108441 (3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-p...) Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108441 (3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-p...) Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Binding affinity for 5-HT3 receptor of NG108-15 cells using [3H]-GR-65,630				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108441 (3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-p...) Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H24N2O/c26-23-21(19-10-3-1-4-11-19)14-9-17-25(23)22(18-24-15-7-8-16-24)20-12-5-2-6-13-20/h1-6,9-14,17,22H,7-8,15-16,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair