Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM199411'   

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))	BDBM199411 (US9221831, 76) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3| Show InChI InChI=1S/C32H38N2O4/c1-36-32-12-11-30(16-23(32)19-37-18-21-5-3-2-4-6-21)25-15-22-9-10-24(28(33)35)27-26(22)31(30,29(32)38-27)13-14-34(25)17-20-7-8-20/h2-6,9-10,20,23,25,29H,7-8,11-19H2,1H3,(H2,33,35)/t23-,25-,29-,30-,31+,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	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))	BDBM199411 (US9221831, 76) Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,TLB:8:7:29.28:4.3| Show InChI InChI=1S/C32H38N2O4/c1-36-32-12-11-30(16-23(32)19-37-18-21-5-3-2-4-6-21)25-15-22-9-10-24(28(33)35)27-26(22)31(30,29(32)38-27)13-14-34(25)17-20-7-8-20/h2-6,9-10,20,23,25,29H,7-8,11-19H2,1H3,(H2,33,35)/t23-,25-,29-,30-,31+,32-/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	0.700	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