Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM199424'   

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))	BDBM199424 (US9221831, 90) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(OCC(O)=O)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:32.31:4.3| Show InChI InChI=1S/C33H39NO7/c1-38-33-10-9-31(15-23(33)18-39-17-21-3-2-4-24(13-21)40-19-27(36)37)26-14-22-7-8-25(35)29-28(22)32(31,30(33)41-29)11-12-34(26)16-20-5-6-20/h2-4,7-8,13,20,23,26,30,35H,5-6,9-12,14-19H2,1H3,(H,36,37)/t23-,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.11	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Purdue Pharma, L.P. US Patent					Assay Description Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM199424 (US9221831, 90) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(OCC(O)=O)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:32.31:4.3| Show InChI InChI=1S/C33H39NO7/c1-38-33-10-9-31(15-23(33)18-39-17-21-3-2-4-24(13-21)40-19-27(36)37)26-14-22-7-8-25(35)29-28(22)32(31,30(33)41-29)11-12-34(26)16-20-5-6-20/h2-4,7-8,13,20,23,26,30,35H,5-6,9-12,14-19H2,1H3,(H,36,37)/t23-,26-,30-,31-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	28.5	n/a	n/a	7.4	25
Purdue Pharma, L.P. US Patent					Assay Description Functional [35S]GTPgammaS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding final ...				US Patent US9221831 (2015) BindingDB Entry DOI: 10.7270/Q2T72G8M
					More data for this Ligand-Target Pair