Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50043711'   

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 (GUINEA PIG)	BDBM50043711 (2-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C44H59N9O11S2/c1-6-7-13-29(37(58)51-32(42(63)64)21-33(55)56)48-40(61)35-44(4,5)66-65-43(2,3)34(52-36(57)28(45)18-25-14-16-27(54)17-15-25)41(62)50-30(19-24-11-9-8-10-12-24)38(59)49-31(39(60)53-35)20-26-22-46-23-47-26/h8-12,14-17,22-23,28-32,34-35,54H,6-7,13,18-21,45H2,1-5H3,(H,46,47)(H,48,61)(H,49,59)(H,50,62)(H,51,58)(H,52,57)(H,53,60)(H,55,56)(H,63,64)/t28-,29-,30-,31-,32-,34-,35+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50043711 (2-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C44H59N9O11S2/c1-6-7-13-29(37(58)51-32(42(63)64)21-33(55)56)48-40(61)35-44(4,5)66-65-43(2,3)34(52-36(57)28(45)18-25-14-16-27(54)17-15-25)41(62)50-30(19-24-11-9-8-10-12-24)38(59)49-31(39(60)53-35)20-26-22-46-23-47-26/h8-12,14-17,22-23,28-32,34-35,54H,6-7,13,18-21,45H2,1-5H3,(H,46,47)(H,48,61)(H,49,59)(H,50,62)(H,51,58)(H,52,57)(H,53,60)(H,55,56)(H,63,64)/t28-,29-,30-,31-,32-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair