BDBM50396432 CHEMBL2170643

SMILES NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(F)cc2)c(c1)C(F)(F)F

InChI Key InChIKey=VKFYSQSTERJHNR-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50396432   

TargetSodium/hydrogen exchanger 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50396432BDBM50396432(CHEMBL2170643)
Affinity DataIC50: 109nMAssay Description:Inhibition of NHE1 in human HT-29 cells assessed as intracellular pH change after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSodium/hydrogen exchanger 1(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50396432BDBM50396432(CHEMBL2170643)
Affinity DataIC50: 184nMAssay Description:Inhibition of NHE1 in human platelet rich plasma assessed as reduction of propionate medium induced platelet swelling measured every 6 secs for 5 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50396432BDBM50396432(CHEMBL2170643)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using 7-benzyloxy-4-(trifluoromethyl)-coumarin as substrate after 30 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50396432BDBM50396432(CHEMBL2170643)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using 7-methoxy-4-(trifluoromethyl)-coumarin as substrate after 45 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50396432BDBM50396432(CHEMBL2170643)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using 7-ethoxy-3-cyanocoumarin as substrate after 45 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50396432BDBM50396432(CHEMBL2170643)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7- methoxy-4-methylcoumarin as substrate after 45 mins by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed