BDBM50344511 3-chloro-4-(6-((1S,5S)-8-(cyclopropylsulfonyl)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-methylpyrimidin-4-ylamino)benzonitrile::CHEMBL1778248

SMILES Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C[C@@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1

InChI Key InChIKey=JONDVPWMQDOELC-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50344511   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50344511BDBM50344511(3-chloro-4-(6-((1S,5S)-8-(cyclopropylsulfonyl)-8-a...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50344511BDBM50344511(3-chloro-4-(6-((1S,5S)-8-(cyclopropylsulfonyl)-8-a...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50344511BDBM50344511(3-chloro-4-(6-((1S,5S)-8-(cyclopropylsulfonyl)-8-a...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed