Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM199364'   

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))	BDBM199364 (US9221831, 29) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)S(C)(=O)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C33H42N2O5S/c1-38-26-12-11-24-17-27-31-13-14-33(39-2,25(18-31)21-35(41(3,36)37)20-22-7-5-4-6-8-22)30-32(31,28(24)29(26)40-30)15-16-34(27)19-23-9-10-23/h4-8,11-12,23,25,27,30H,9-10,13-21H2,1-3H3/t25-,27-,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	0.430	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))	BDBM199364 (US9221831, 29) Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CN(Cc1ccccc1)S(C)(=O)=O)OC |r,THB:26:25:15.16:22.21| Show InChI InChI=1S/C33H42N2O5S/c1-38-26-12-11-24-17-27-31-13-14-33(39-2,25(18-31)21-35(41(3,36)37)20-22-7-5-4-6-8-22)30-32(31,28(24)29(26)40-30)15-16-34(27)19-23-9-10-23/h4-8,11-12,23,25,27,30H,9-10,13-21H2,1-3H3/t25-,27-,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	80.5	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