Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50011517'   

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))	BDBM50011517 (CHEMBL3262547) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCc3ccccc3C2)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-22-23-9-5-6-10-24(23)27(25(22)28)20-13-15-26(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h3-10,20-22H,2,11-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor transfected in CHO cell membranes after 60 mins				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50011517 (CHEMBL3262547) Show SMILES CCC1C(=O)N(C2CCN(CC2)C2CCc3ccccc3C2)c2ccccc12 Show InChI InChI=1S/C25H30N2O/c1-2-22-23-9-5-6-10-24(23)27(25(22)28)20-13-15-26(16-14-20)21-12-11-18-7-3-4-8-19(18)17-21/h3-10,20-22H,2,11-17H2,1H3	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	153	n/a	n/a	n/a	n/a
Astraea Therapeutics, LLC. Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor transfected in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding after 60 mins by ...				Bioorg Med Chem 22: 2508-16 (2014) Article DOI: 10.1016/j.bmc.2014.02.047 BindingDB Entry DOI: 10.7270/Q2VH5QC2
					More data for this Ligand-Target Pair