Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50221780'   

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))	BDBM50221780 (CHEMBL3217089) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCc1nc(O)c(CNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C29H38N6O5.2ClH/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4;;/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50221780 (CHEMBL3217089) Show SMILES Cl.Cl.Cc1cc(O)cc(C)c1CC(N)C(=O)NCc1nc(O)c(CNC(=O)C(N)Cc2c(C)cc(O)cc2C)nc1C Show InChI InChI=1S/C29H38N6O5.2ClH/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4;;/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40);2*1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for Opioid receptor mu 1 agonism in isolated tissues from guinea pig ileum				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair