BDBM50112346 CHEMBL3609325

SMILES [H][C@@]12CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C1)C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](Cc1ccc(OCc3cn(nn3)[C@]3([H])CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@]([H])(C3)C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](Cc3ccc(OCCCC2)cc3)C(O)=O)cc1)NS(=O)(=O)C1CC1

InChI Key InChIKey=MLQVQPMTZJBGEY-VGEDNRJQSA-N

Data  8 IC50  2 EC50

  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 10 hits for monomerid = 50112346   

TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataIC50:  3.5nMAssay Description:Inhibition of XIAP BIR3 domain (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBaculoviral IAP repeat-containing protein 3(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataIC50:  3nMAssay Description:Inhibition of cIAP BIR2-3 domain (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetE3 ubiquitin-protein ligase XIAP(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataEC50:  9.40nMAssay Description:Inhibition of XIAP (unknown origin) by caspase-3 rescue assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataEC50: >5.00E+4nMAssay Description:Activation of PXR (unknown origin) by receptor transactivation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50112346(CHEMBL3609325)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP2B6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed