Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM303069'   

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))	BDBM303069 (US9598447, Ref No. PP) Show SMILES CCOP(=O)(OCC)\C=C\c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3C[C@H](C)C[C@H](C3)C2)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H46N3O4P/c1-4-38-40(37,39-5-2)14-13-30-32(36)35(31-12-7-6-11-29(31)33-30)28-20-25-9-8-10-26(21-28)34(25)27-18-23-15-22(3)16-24(17-23)19-27/h6-7,11-14,22-28H,4-5,8-10,15-21H2,1-3H3/b14-13+/t22-,23-,24+,25-,26+,27+,28+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description κ-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned ...				US Patent US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM303069 (US9598447, Ref No. PP) Show SMILES CCOP(=O)(OCC)\C=C\c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3C[C@H](C)C[C@H](C3)C2)c1=O |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H46N3O4P/c1-4-38-40(37,39-5-2)14-13-30-32(36)35(31-12-7-6-11-29(31)33-30)28-20-25-9-8-10-26(21-28)34(25)27-18-23-15-22(3)16-24(17-23)19-27/h6-7,11-14,22-28H,4-5,8-10,15-21H2,1-3H3/b14-13+/t22-,23-,24+,25-,26+,27+,28+	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	2.00E+4	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description κ-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned ...				US Patent US9598447 (2017) BindingDB Entry DOI: 10.7270/Q2P27168
					More data for this Ligand-Target Pair