Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50027098'   

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))	BDBM50027098 (CHEMBL2113379) Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6| Show InChI InChI=1S/C31H29N3O3/c1-34-14-13-30-26-19-11-12-23(35)28(26)37-29(30)27-21(20-9-5-6-10-22(20)32-27)17-31(30,24(34)16-19)33-25(36)15-18-7-3-2-4-8-18/h2-12,24,29,32,35H,13-17H2,1H3,(H,33,36)/t24?,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	148	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))	BDBM50027098 (CHEMBL2113379) Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)Cc1ccccc1)ccc3O |TLB:9:8:13:4.5.6| Show InChI InChI=1S/C31H29N3O3/c1-34-14-13-30-26-19-11-12-23(35)28(26)37-29(30)27-21(20-9-5-6-10-22(20)32-27)17-31(30,24(34)16-19)33-25(36)15-18-7-3-2-4-8-18/h2-12,24,29,32,35H,13-17H2,1H3,(H,33,36)/t24?,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	96	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