Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM4211'   

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))	BDBM4211 (US8530494, 101) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:26:25:15.16:22.21| Show InChI InChI=1S/C32H45NO4/c1-34-25-11-10-23-16-26-30-12-13-32(35-2,24(17-30)20-36-19-22-6-4-3-5-7-22)29-31(30,27(23)28(25)37-29)14-15-33(26)18-21-8-9-21/h10-11,21-22,24,26,29H,3-9,12-20H2,1-2H3/t24-,26-,29-,30-,31+,32-/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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