BDBM50444546 CHEMBL2414256

SMILES CC(C)(C)n1nnnc1C(NCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1

InChI Key InChIKey=IHDMNALHWVSDJE-UHFFFAOYSA-N

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50444546   

TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444546(CHEMBL2414256)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444546(CHEMBL2414256)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444546(CHEMBL2414256)
Affinity DataIC50:  1.24E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as S-mephenytoin 4'-hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444546(CHEMBL2414256)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
University Of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444546(CHEMBL2414256)
Affinity DataIC50:  1.27E+4nMAssay Description:Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
University Of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444546(CHEMBL2414256)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2E1 in human liver microsomes assessed as chlorzoxazone 6-hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
University Of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444546(CHEMBL2414256)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444546(CHEMBL2414256)
Affinity DataIC50:  8.91E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed