Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50018636'   

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))	BDBM50018636 (12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O)C(N)=O Show InChI InChI=1S/C28H36N6O6/c1-34-23(15-17-6-3-2-4-7-17)27(39)33-22(25(30)37)16-24(36)31-13-5-8-21(28(34)40)32-26(38)20(29)14-18-9-11-19(35)12-10-18/h2-4,6-7,9-12,20-23,35H,5,8,13-16,29H2,1H3,(H2,30,37)(H,31,36)(H,32,38)(H,33,39)/t20-,21+,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 in rat brain membrane using [3H]-DAGO as radioligand				J Med Chem 30: 2094-9 (1987) BindingDB Entry DOI: 10.7270/Q2416W24
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50018636 (12-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2...) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)NCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O)C(N)=O Show InChI InChI=1S/C28H36N6O6/c1-34-23(15-17-6-3-2-4-7-17)27(39)33-22(25(30)37)16-24(36)31-13-5-8-21(28(34)40)32-26(38)20(29)14-18-9-11-19(35)12-10-18/h2-4,6-7,9-12,20-23,35H,5,8,13-16,29H2,1H3,(H2,30,37)(H,31,36)(H,32,38)(H,33,39)/t20-,21+,22-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Inhibitory activity towards electrically induced contractions in guinea pig ileum expressing Opioid receptor mu 1				J Med Chem 30: 2094-9 (1987) BindingDB Entry DOI: 10.7270/Q2416W24
					More data for this Ligand-Target Pair