BDBM50504115 CHEMBL4470176

SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1

InChI Key InChIKey=SMEFQJGKKXYNAS-UHFFFAOYSA-N

Data  6 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50504115   

TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50504115(CHEMBL4470176)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDNA excision repair protein ERCC-1/repair endonuclease XPF(Homo sapiens)
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50504115(CHEMBL4470176)
Affinity DataKd:  100nMAssay Description:Binding affinity to human His6-tagged ERCC1-XPF expressed in Escherichia coli BL21 (DE3) by spectrofluorimetric methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50504115(CHEMBL4470176)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetDNA repair endonuclease XPF(Homo sapiens)
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50504115(CHEMBL4470176)
Affinity DataIC50:  330nMAssay Description:Inhibition of human His6-tagged ERCC1-XPF endonuclease activity expressed in Escherichia coli BL21 (DE3) using [6-FAM-5'-CAGCGCTCGG(20T)CCGAGCGCTG-3'...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50504115(CHEMBL4470176)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrateMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50504115(CHEMBL4470176)
Affinity DataIC50:  6.40E+3nMAssay 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))
University Of Alberta

Curated by ChEMBL
LigandPNGBDBM50504115(CHEMBL4470176)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed