BDBM50091724 (S)-3-{(1R,3S)-3-[4-(2-Cyano-phenyl)-piperazin-1-yl]-cyclopentylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester::CHEMBL300766

SMILES COCC1=C([C@@H](N(C(=O)N[C@@H]2CC[C@@H](C2)N2CCN(CC2)c2ccccc2C#N)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC

InChI Key InChIKey=SOUVKJLYRGDDOT-UHFFFAOYSA-N

Data  3 KI

  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 = 50091724   

TargetAlpha-1A adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50091724((S)-3-{(1R,3S)-3-[4-(2-Cyano-phenyl)-piperazin-1-y...)
Affinity DataKi:  1.60nMAssay Description:Displacement of [125I]HEAT from human Alpha-1A adrenergic receptor stably expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed
TargetAlpha-1D adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50091724((S)-3-{(1R,3S)-3-[4-(2-Cyano-phenyl)-piperazin-1-y...)
Affinity DataKi:  7.5nMAssay Description:Displacement of [125I]HEAT from human Alpha-1D adrenergic receptor stably expressed in HL cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50091724((S)-3-{(1R,3S)-3-[4-(2-Cyano-phenyl)-piperazin-1-y...)
Affinity DataKi:  28nMAssay Description:Displacement of [125I]HEAT from human Alpha-1B adrenergic receptor stably expressed in LM cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2012
Entry Details Article
PubMed