BDBM44310 CHEMBL1621070::MLS-0412098.0001::cid_44182203::formic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-N-[(2S)-1-(1-naphthalenylmethylamino)-1-oxopropan-2-yl]butanamide::formic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanamide::formic acid;(2S)-N-[(1S)-2-keto-1-methyl-2-(1-naphthylmethylamino)ethyl]-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butyramide::methanoic acid;(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]butanamide

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCc1cccc2ccccc12

InChI Key InChIKey=ZQEXIHCBAFWXJN-FTRWYGJKSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 44310   

TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44310(CHEMBL1621070 | MLS-0412098.0001 | cid_44182203 | ...)
Affinity DataKi:  3.00E+3nMAssay Description:Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44310(CHEMBL1621070 | MLS-0412098.0001 | cid_44182203 | ...)
Affinity DataKi:  3.42E+4nMAssay Description:Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44310(CHEMBL1621070 | MLS-0412098.0001 | cid_44182203 | ...)
Affinity DataIC50:  6.00E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44310(CHEMBL1621070 | MLS-0412098.0001 | cid_44182203 | ...)
Affinity DataIC50:  8.75E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay