Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50043713'   

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))	BDBM50043713 (3-{(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCC(O)=O)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)NCC(N)=O Show InChI InChI=1S/C40H56N8O10S2/c1-21(2)30(36(56)43-20-28(42)50)46-38(58)32-40(5,6)60-59-39(3,4)31(47-33(53)25(41)18-23-12-14-24(49)15-13-23)37(57)45-27(19-22-10-8-7-9-11-22)35(55)44-26(34(54)48-32)16-17-29(51)52/h7-15,21,25-27,30-32,49H,16-20,41H2,1-6H3,(H2,42,50)(H,43,56)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,54)(H,51,52)/t25-,26-,27-,30-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.24	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50043713 (3-{(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CCC(O)=O)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)NCC(N)=O Show InChI InChI=1S/C40H56N8O10S2/c1-21(2)30(36(56)43-20-28(42)50)46-38(58)32-40(5,6)60-59-39(3,4)31(47-33(53)25(41)18-23-12-14-24(49)15-13-23)37(57)45-27(19-22-10-8-7-9-11-22)35(55)44-26(34(54)48-32)16-17-29(51)52/h7-15,21,25-27,30-32,49H,16-20,41H2,1-6H3,(H2,42,50)(H,43,56)(H,44,55)(H,45,57)(H,46,58)(H,47,53)(H,48,54)(H,51,52)/t25-,26-,27-,30-,31-,32+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.24	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