Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50068138'   

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))	BDBM50068138 ((4S,7S,13S)-13-[(S)-2-Amino-3-(4-methoxy-phenyl)-p...) Show SMILES COc1ccc(C[C@H](N)C(=O)N[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC2(C)C)cc1 Show InChI InChI=1S/C31H41N5O7S2/c1-30(2)24(35-26(38)21(32)15-19-11-13-20(43-5)14-12-19)28(40)33-17-23(37)34-22(16-18-9-7-6-8-10-18)27(39)36-25(29(41)42)31(3,4)45-44-30/h6-14,21-22,24-25H,15-17,32H2,1-5H3,(H,33,40)(H,34,37)(H,35,38)(H,36,39)(H,41,42)/t21-,22-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as radioligand.				J Med Chem 41: 4767-76 (1998) Article DOI: 10.1021/jm980374r BindingDB Entry DOI: 10.7270/Q2DZ07FQ
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