BDBM50146683 (S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-phenyl-1-(2,4,6-trifluoro-benzyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid::CHEMBL329477

SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3c(F)cc(F)cc3F)c3ccccc23)c2ccccc2)n1

InChI Key InChIKey=GDAGOGOXJLUVGB-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50146683   

TargetEndothelin receptor type B(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146683((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...)
Affinity DataIC50: 83.6nMAssay Description:Antagonist activity towards human recombinant Endothelin B receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]ET1 as radi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146683((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146683((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...)
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146683((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human cytochrome P450 2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetEndothelin-1 receptor(Human)
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50146683((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...)
Affinity DataIC50: 2.5nMAssay Description:Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]ET1 as radi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed