Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM199409'   

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))	BDBM199409 (US9221831, 74) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(=O)c4ccccc4)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:36.35:4.3| Show InChI InChI=1S/C38H42N2O5/c1-43-38-15-14-36(20-28(38)23-44-22-25-6-5-9-29(18-25)39-34(42)26-7-3-2-4-8-26)31-19-27-12-13-30(41)33-32(27)37(36,35(38)45-33)16-17-40(31)21-24-10-11-24/h2-9,12-13,18,24,28,31,35,41H,10-11,14-17,19-23H2,1H3,(H,39,42)/t28-,31-,35-,36-,37+,38-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	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))	BDBM199409 (US9221831, 74) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1cccc(NC(=O)c4ccccc4)c1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:36.35:4.3| Show InChI InChI=1S/C38H42N2O5/c1-43-38-15-14-36(20-28(38)23-44-22-25-6-5-9-29(18-25)39-34(42)26-7-3-2-4-8-26)31-19-27-12-13-30(41)33-32(27)37(36,35(38)45-33)16-17-40(31)21-24-10-11-24/h2-9,12-13,18,24,28,31,35,41H,10-11,14-17,19-23H2,1H3,(H,39,42)/t28-,31-,35-,36-,37+,38-/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	0.540	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