BDBM50166056 2-[2-Amino-3-((S)-4-hydroxy-2,6-dimethyl-phenyl)-propionylamino]-cyclohexanecarboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL363851

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WOIJFHMCPKYSNJ-QDXXISHVSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50166056   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (MOUSE)	BDBM50166056 (2-[2-Amino-3-((S)-4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H45N5O5/c1-22-17-26(42)18-23(2)28(22)21-29(37)35(45)39-30-16-10-9-15-27(30)34(44)41-32(20-25-13-7-4-8-14-25)36(46)40-31(33(38)43)19-24-11-5-3-6-12-24/h3-8,11-14,17-18,27,29-32,42H,9-10,15-16,19-21,37H2,1-2H3,(H2,38,43)(H,39,45)(H,40,46)(H,41,44)/t27-,29-,30+,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Szeged Curated by ChEMBL					Assay Description Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to mouse brain mu opioid receptor				J Med Chem 48: 3239-50 (2005) Article DOI: 10.1021/jm049157i BindingDB Entry DOI: 10.7270/Q28P601Q
					More data for this Ligand-Target Pair