Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM179894'   

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))	BDBM179894 (US10287250, Compound C.12 | US9133125, Table C, Co...) Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1C(N)=O |r| Show InChI InChI=1S/C17H22N2O2/c1-19-9-8-17-11(10-19)4-2-7-14(17)21-15-12(16(18)20)5-3-6-13(15)17/h3,5-6,11,14H,2,4,7-10H2,1H3,(H2,18,20)/t11-,14-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	-43.6	>3.00E+3	n/a	n/a	n/a	n/a	7.5	25
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...				US Patent US9133125 (2015) BindingDB Entry DOI: 10.7270/Q2736PPB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179894 (US10287250, Compound C.12 | US9133125, Table C, Co...) Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1C(N)=O |r| Show InChI InChI=1S/C17H22N2O2/c1-19-9-8-17-11(10-19)4-2-7-14(17)21-15-12(16(18)20)5-3-6-13(15)17/h3,5-6,11,14H,2,4,7-10H2,1H3,(H2,18,20)/t11-,14-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179894 (US10287250, Compound C.12 | US9133125, Table C, Co...) Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1C(N)=O |r| Show InChI InChI=1S/C17H22N2O2/c1-19-9-8-17-11(10-19)4-2-7-14(17)21-15-12(16(18)20)5-3-6-13(15)17/h3,5-6,11,14H,2,4,7-10H2,1H3,(H2,18,20)/t11-,14-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The Ki (binding affinity) for μ opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Jour...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179894 (US10287250, Compound C.12 | US9133125, Table C, Co...) Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1C(N)=O |r| Show InChI InChI=1S/C17H22N2O2/c1-19-9-8-17-11(10-19)4-2-7-14(17)21-15-12(16(18)20)5-3-6-13(15)17/h3,5-6,11,14H,2,4,7-10H2,1H3,(H2,18,20)/t11-,14-,17-/m0/s1	PDB NCI pathway 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	190	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The EC50 and Imax for μ opioid receptors was determined using a [35S]GTPγS binding assay. This assay measures the functional properties of ...				Bioorg Med Chem Lett 17: 4284-9 (2007) BindingDB Entry DOI: 10.7270/Q2125W08
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM179894 (US10287250, Compound C.12 | US9133125, Table C, Co...) Show SMILES CN1CC[C@]23[C@H](CCC[C@H]2C1)Oc1c3cccc1C(N)=O |r| Show InChI InChI=1S/C17H22N2O2/c1-19-9-8-17-11(10-19)4-2-7-14(17)21-15-12(16(18)20)5-3-6-13(15)17/h3,5-6,11,14H,2,4,7-10H2,1H3,(H2,18,20)/t11-,14-,17-/m0/s1	PDB NCI pathway 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	190	n/a	n/a	7.4	n/a
ALKERMES PHARMA IRELAND LIMITED US Patent					Assay Description The EC50 and Imax for μ opioid receptors was determined using a [I35S]GTPγS binding assay. This assay measures the functional properties of a compo...				US Patent US9133125 (2015) BindingDB Entry DOI: 10.7270/Q2736PPB
					More data for this Ligand-Target Pair