BDBM50444547 CHEMBL3099819

SMILES Cc1ccc(cc1)C(NCCNc1ccnc2cc(Cl)ccc12)c1nnnn1C(C)(C)C

InChI Key InChIKey=OKFARBMRDHCVLP-UHFFFAOYSA-N

Data  8 IC50

  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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50444547   

TargetCytochrome P450 2C8(Human)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444547(CHEMBL3099819)
Affinity DataIC50: 3.98E+3nMAssay 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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444547(CHEMBL3099819)
Affinity DataIC50: 9.88E+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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444547(CHEMBL3099819)
Affinity DataIC50: 1.03E+4nMAssay 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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444547(CHEMBL3099819)
Affinity DataIC50: 2.00E+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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444547(CHEMBL3099819)
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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444547(CHEMBL3099819)
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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444547(CHEMBL3099819)
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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
University of Cape Town

Curated by ChEMBL
LigandPNGBDBM50444547(CHEMBL3099819)
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 Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed