BDBM50559204 CHEMBL4753756

SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N[C@H]3CC[C@@H](CC3)Nc3ncnc4cc(OC)c(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)cc34)ncnc2cc1OC)C(C)(C)C

InChI Key InChIKey=YIZXATJRZDXIBK-ZOGJLHJXSA-N

Data  1 KI  5 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 6 hits for monomerid = 50559204   

TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50559204(CHEMBL4753756)
Affinity DataKi:  64nMAssay Description:Binding affinity to human XIAP-BIR3 (241 to 356 residues)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50559204(CHEMBL4753756)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50559204(CHEMBL4753756)
Affinity DataIC50:  3.57E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50559204(CHEMBL4753756)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50559204(CHEMBL4753756)
Affinity DataIC50:  3.56E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Chung-Ang University

Curated by ChEMBL
LigandPNGBDBM50559204(CHEMBL4753756)
Affinity DataIC50:  4.36E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed