BDBM44335 (2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide;methanoic acid::CHEMBL1621847::MLS-0391031.0001::cid_44182263::formic acid;(2S)-N-(5-isoquinolinyl)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxamide::formic acid;(2S)-N-(5-isoquinolyl)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide::formic acid;(2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cnccc12

InChI Key InChIKey=AHJPZEIOFFEPPD-YSSFQJQWSA-N

Data  2 KI  2 IC50

  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 4 hits for monomerid = 44335   

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

Curated by ChEMBL
LigandPNGBDBM44335((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Affinity DataKi:  2.55E+3nMAssay Description:Competitive inhibition of XIAP BIR2 domain by fluorescent 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
LigandPNGBDBM44335((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Affinity DataKi:  1.62E+4nMAssay Description:Competitive inhibition of XIAP BIR3 domain by fluorescent 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
LigandPNGBDBM44335((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Affinity DataIC50:  5.20E+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
LigandPNGBDBM44335((2S)-N-isoquinolin-5-yl-1-[(2S)-3-methyl-2-[[(2S)-...)
Affinity DataIC50:  4.16E+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