Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50280346'   

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))	BDBM50280346 ((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C30H39F3N6O6S/c1-46-14-12-22(26(35)42)38-29(45)24(16-18-5-3-2-4-6-18)37-25(41)17-36-28(44)23(11-13-30(31,32)33)39-27(43)21(34)15-19-7-9-20(40)10-8-19/h2-10,21-24,40H,11-17,34H2,1H3,(H2,35,42)(H,36,44)(H,37,41)(H,38,45)(H,39,43)/t21-,22-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity against enkephalin mu receptor using [3H]-PL-017 as ligand in rat cerebrum in vitro				Bioorg Med Chem Lett 2: 219-222 (1992) Article DOI: 10.1016/S0960-894X(01)81068-4 BindingDB Entry DOI: 10.7270/Q2D50MVQ
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