Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50399886'   

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))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]ethylketocyclazocine from kappa opioid receptor in guinea pig brain				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50399886 (CHEMBL2180637) Show SMILES CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 Show InChI InChI=1S/C21H29NO/c1-2-3-7-15-22(16-13-19-9-5-4-6-10-19)17-14-20-11-8-12-21(23)18-20/h4-6,8-12,18,23H,2-3,7,13-17H2,1H3	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	n/a	n/a	86	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by [35S]GTPgammaS binding assay				J Med Chem 55: 10302-6 (2012) Article DOI: 10.1021/jm301258w BindingDB Entry DOI: 10.7270/Q24X58ZX
					More data for this Ligand-Target Pair