Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50018717'   

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))	BDBM50018717 (2-{1-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)C[C@@H](N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C32H46N6O9/c1-18(2)13-26(37-28(19(3)40)32(46)47)38-31(45)24(15-20-7-5-4-6-8-20)35-27(42)16-34-30(44)25(17-39)36-29(43)23(33)14-21-9-11-22(41)12-10-21/h4-12,18-19,23-26,28,37,39-41H,13-17,33H2,1-3H3,(H,34,44)(H,35,42)(H,36,43)(H,38,45)(H,46,47)/t19-,23+,24+,25-,26+,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]DAGO binding to mu 1 opioid receptor in rat brain membranes				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50018717 (2-{1-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES CC(C)C[C@@H](N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C32H46N6O9/c1-18(2)13-26(37-28(19(3)40)32(46)47)38-31(45)24(15-20-7-5-4-6-8-20)35-27(42)16-34-30(44)25(17-39)36-29(43)23(33)14-21-9-11-22(41)12-10-21/h4-12,18-19,23-26,28,37,39-41H,13-17,33H2,1-3H3,(H,34,44)(H,35,42)(H,36,43)(H,38,45)(H,46,47)/t19-,23+,24+,25-,26+,28+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of electrically evoked contraction of guinea pig ileum (myenteric plexus:longitudinal muscle preparation) by antagonist action at mu 1 opi...				J Med Chem 31: 374-83 (1988) BindingDB Entry DOI: 10.7270/Q21R6R37
					More data for this Ligand-Target Pair