Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50027097'   

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))	BDBM50027097 (CHEMBL2113382) Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6| Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.				J Med Chem 46: 1563-6 (2003) Article DOI: 10.1021/jm021073r BindingDB Entry DOI: 10.7270/Q27945F9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027097 (CHEMBL2113382) Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6| Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Stimulation of U-69,593 binding at human recombinant Opioid receptor kappa 1 transfected into CHO cells.				J Med Chem 46: 1563-6 (2003) Article DOI: 10.1021/jm021073r BindingDB Entry DOI: 10.7270/Q27945F9
					More data for this Ligand-Target Pair