Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM4778'   

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))	BDBM4778 (US8530494, 212) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(OC(F)(F)F)cc1)OC |r,TLB:23:22:12.13:19.18| Show InChI InChI=1S/C30H34F3NO5/c1-34-13-12-28-24-19-6-9-22(35-2)25(24)38-26(28)29(36-3)11-10-27(28,23(34)14-19)15-20(29)17-37-16-18-4-7-21(8-5-18)39-30(31,32)33/h4-9,20,23,26H,10-17H2,1-3H3/t20-,23-,26-,27-,28+,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.71	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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