BDBM21117 3-{N'-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoyl]hydrazinecarbonyl}-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide::4-anilidopiperidine, 12

SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1

InChI Key InChIKey=IBGXJQBCQGQXFQ-JURIQKAMSA-N

Data  2 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21117   

TargetMu-type opioid receptor(Rattus norvegicus (rat))
University of Arizona Tucson

LigandPNGBDBM21117(3-{N'-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydrox...)
Affinity DataKi:  1.10nM ΔG°:  -12.2kcal/mole EC50:  11nMpH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Arizona Tucson

LigandPNGBDBM21117(3-{N'-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydrox...)
Affinity DataKi:  6.10nM ΔG°:  -11.2kcal/mole EC50:  110nMpH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed