Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM4362'   

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))	BDBM4362 (US8530494, 215) Show SMILES COc1cccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(C)CC[C@@]426)ccc5OC)c1 |r,THB:9:10:29.18:13.14| Show InChI InChI=1S/C30H37NO5/c1-31-13-12-29-25-20-8-9-23(33-3)26(25)36-27(29)30(34-4)11-10-28(29,24(31)15-20)16-21(30)18-35-17-19-6-5-7-22(14-19)32-2/h5-9,14,21,24,27H,10-13,15-18H2,1-4H3/t21-,24-,27-,28-,29+,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP US Patent					Assay Description Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...				US Patent US8530494 (2013) BindingDB Entry DOI: 10.7270/Q2JS9P3J
					More data for this Ligand-Target Pair