Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50500609'   

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 (Rattus norvegicus (rat))	BDBM50500609 (CHEMBL3754056) Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis				Bioorg Med Chem Lett 26: 222-7 (2016) Article DOI: 10.1016/j.bmcl.2015.10.081 BindingDB Entry DOI: 10.7270/Q2W66PSM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50500609 (CHEMBL3754056) Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.275	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis				Bioorg Med Chem Lett 26: 222-7 (2016) Article DOI: 10.1016/j.bmcl.2015.10.081 BindingDB Entry DOI: 10.7270/Q2W66PSM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50500609 (CHEMBL3754056) Show SMILES CCC(=O)N(CC1CCCCN1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C43H56N6O8/c1-5-40(53)49(32-16-10-7-11-17-32)27-33-18-12-13-20-48(33)21-19-38(51)46-36(24-31-14-8-6-9-15-31)42(55)44-26-39(52)45-30(4)41(54)47-37(43(56)57)25-35-28(2)22-34(50)23-29(35)3/h6-11,14-17,22-23,30,33,36-37,50H,5,12-13,18-21,24-27H2,1-4H3,(H,44,55)(H,45,52)(H,46,51)(H,47,54)(H,56,57)/t30-,33?,36+,37+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at mu-opioid receptor in Hartley guinea pig isolated ileum assessed as inhibition of contraction in electrically stimulated muscle				Bioorg Med Chem Lett 26: 222-7 (2016) Article DOI: 10.1016/j.bmcl.2015.10.081 BindingDB Entry DOI: 10.7270/Q2W66PSM
					More data for this Ligand-Target Pair