Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM4249'   

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))	BDBM4249 (US8530494, 50) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCC1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C27H37NO4/c1-28-12-11-26-22-18-7-8-20(29-2)23(22)32-24(26)27(30-3)10-9-25(26,21(28)13-18)14-19(27)16-31-15-17-5-4-6-17/h7-8,17,19,21,24H,4-6,9-16H2,1-3H3/t19-,21-,24-,25-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.150	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
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