Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50105780'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50105780 (10,17-dihydroxy-4-(2-methylallyl)-15-[1-phenyl-(E)...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CC(=Cc1ccccc1)C4=O)ccc5O |w:19.22,TLB:16:15:11.12.13:4.6.5,THB:10:11:15:4.6.5,3:4:15:11.12.13| Show InChI InChI=1S/C27H27NO4/c1-16(2)15-28-11-10-26-22-18-8-9-20(29)24(22)32-25(26)23(30)19(12-17-6-4-3-5-7-17)14-27(26,31)21(28)13-18/h3-9,12,21,25,29,31H,1,10-11,13-15H2,2H3/t21?,25-,26?,27+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50105780 (10,17-dihydroxy-4-(2-methylallyl)-15-[1-phenyl-(E)...) Show SMILES CC(=C)CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(O)CC(=Cc1ccccc1)C4=O)ccc5O |w:19.22,TLB:16:15:11.12.13:4.6.5,THB:10:11:15:4.6.5,3:4:15:11.12.13| Show InChI InChI=1S/C27H27NO4/c1-16(2)15-28-11-10-26-22-18-8-9-20(29)24(22)32-25(26)23(30)19(12-17-6-4-3-5-7-17)14-27(26,31)21(28)13-18/h3-9,12,21,25,29,31H,1,10-11,13-15H2,2H3/t21?,25-,26?,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from Opioid receptor kappa 1				Bioorg Med Chem Lett 11: 2883-5 (2001) BindingDB Entry DOI: 10.7270/Q2D79BZV
					More data for this Ligand-Target Pair