Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM97715'   

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))	BDBM97715 (US8476271, 96 | US8846929, 356 | US9145408, 356) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r| Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	76	-40.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma, L.P.; Shionogi & Co., Ltd. US Patent					Assay Description In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.				US Patent US8476271 (2013) BindingDB Entry DOI: 10.7270/Q2416VNB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM97715 (US8476271, 96 | US8846929, 356 | US9145408, 356) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r| Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	76	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...				US Patent US8846929 (2014) BindingDB Entry DOI: 10.7270/Q2G44P04
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM97715 (US8476271, 96 | US8846929, 356 | US9145408, 356) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r| Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	76	-37.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Alpha-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned i...				US Patent US9145408 (2015) BindingDB Entry DOI: 10.7270/Q2DJ5DD3
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM97715 (US8476271, 96 | US8846929, 356 | US9145408, 356) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r| Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.82E+4	-27.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma, L.P.; Shionogi & Co., Ltd. US Patent					Assay Description In vitro binding assay using ORL-1m Mu-opioid, kappa-opioid, and delta-opioid receptor.				US Patent US8476271 (2013) BindingDB Entry DOI: 10.7270/Q2416VNB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM97715 (US8476271, 96 | US8846929, 356 | US9145408, 356) Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCCC2)c1=O |r| Show InChI InChI=1S/C28H39N3O3/c32-27-26(28(33)34)29-24-14-10-11-15-25(24)31(27)23-18-21-16-17-22(19-23)30(21)20-12-8-6-4-2-1-3-5-7-9-13-20/h10-11,14-15,20-23H,1-9,12-13,16-19H2,(H,33,34)/t21-,22+,23+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	7.4	25
Purdue Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description Alpha-Opioid Receptor Functional Assay Procedures: Functional [35S]GTPgammaS binding assays were conducted as follows. Kappa opioid receptor membrane...				US Patent US9145408 (2015) BindingDB Entry DOI: 10.7270/Q2DJ5DD3
					More data for this Ligand-Target Pair