Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM172390'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM172390 (US9090618, H56b(ii) | US9598411, Ref. No. H56b(ii)) Show SMILES OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H46N4O2/c37-31(38)21-34-15-6-5-14-30(34)32-33-28-12-3-4-13-29(28)36(32)27-19-24-10-7-11-25(20-27)35(24)26-17-22-8-1-2-9-23(16-22)18-26/h3-4,12-13,22-27,30H,1-2,5-11,14-21H2,(H,37,38)/t22-,23+,24-,25+,26-,27+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	11	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 US9598411 (2017) BindingDB Entry DOI: 10.7270/Q2ZG6V9S
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM172390 (US9090618, H56b(ii) | US9598411, Ref. No. H56b(ii)) Show SMILES OC(=O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@@H]2C[C@H](C1)CCCC2 |r,THB:28:27:19.20.26:22.24.23| Show InChI InChI=1S/C32H46N4O2/c37-31(38)21-34-15-6-5-14-30(34)32-33-28-12-3-4-13-29(28)36(32)27-19-24-10-7-11-25(20-27)35(24)26-17-22-8-1-2-9-23(16-22)18-26/h3-4,12-13,22-27,30H,1-2,5-11,14-21H2,(H,37,38)/t22-,23+,24-,25+,26-,27+,30-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.13E+4	-28.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Purdue Pharma L.P. US Patent					Assay Description Radioligand binding assays were conducted using freshly thawed membranes expressing human mu-receptors (Perkin Elmer, Shelton, Conn.). Radioligand do...				US Patent US9090618 (2015) BindingDB Entry DOI: 10.7270/Q2G73CGB
					More data for this Ligand-Target Pair