Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50343626'   

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))	BDBM50343626 ((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2| Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu-opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343626 ((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2| Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu-opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins b...				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50343626 ((5alpha)-17-Allyl-14-hydroxy-6-oxo-4,5-epoxymorphi...) Show SMILES CO[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)CCCCCCCCC(=O)Oc3ccc4C[C@H]5N(CC=C)CC[C@@]67[C@@H](Oc3c46)C(=O)CC[C@@]57O)cc12 |r,TLB:11:10:18.60.17:2| Show InChI InChI=1S/C51H66N2O8/c1-3-27-52-29-26-49-45-36-18-20-40(46(45)61-47(49)39(54)21-24-50(49,57)41(52)31-36)60-44(56)16-9-7-5-4-6-8-15-43(55)59-37-19-17-35-30-42-51(58-2)23-11-10-22-48(51,38(35)32-37)25-28-53(42)33-34-13-12-14-34/h3,17-20,32,34,41-42,47,57H,1,4-16,21-31,33H2,2H3/t41-,42-,47+,48+,49+,50-,51-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Agonist activity at human mu-opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by scintillation ...				Bioorg Med Chem 19: 2808-16 (2011) Article DOI: 10.1016/j.bmc.2011.03.052 BindingDB Entry DOI: 10.7270/Q2KW5GB1
					More data for this Ligand-Target Pair