Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50399638'   

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))	BDBM50399638 (CHEMBL2181196) Show SMILES CN([C@@H](CCCCN)C(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C33H50N8O6/c1-20-16-23(42)17-21(2)24(20)19-25(35)30(44)39-26(12-9-15-38-33(37)47)31(45)40-27(18-22-10-5-4-6-11-22)32(46)41(3)28(29(36)43)13-7-8-14-34/h4-6,10-11,16-17,25-28,42H,7-9,12-15,18-19,34-35H2,1-3H3,(H2,36,43)(H,39,44)(H,40,45)(H3,37,38,47)/t25-,26+,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes after 2 hrs				J Med Chem 55: 9549-61 (2012) Article DOI: 10.1021/jm3008079 BindingDB Entry DOI: 10.7270/Q2TM7C82
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50399638 (CHEMBL2181196) Show SMILES CN([C@@H](CCCCN)C(N)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C33H50N8O6/c1-20-16-23(42)17-21(2)24(20)19-25(35)30(44)39-26(12-9-15-38-33(37)47)31(45)40-27(18-22-10-5-4-6-11-22)32(46)41(3)28(29(36)43)13-7-8-14-34/h4-6,10-11,16-17,25-28,42H,7-9,12-15,18-19,34-35H2,1-3H3,(H2,36,43)(H,39,44)(H,40,45)(H3,37,38,47)/t25-,26+,27-,28-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum				J Med Chem 55: 9549-61 (2012) Article DOI: 10.1021/jm3008079 BindingDB Entry DOI: 10.7270/Q2TM7C82
					More data for this Ligand-Target Pair