BDBM50090024 (S)-4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid {3-[4-cyano-4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide::CHEMBL419497

SMILES CN1C=C([C@@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C#N)c1ccc(F)cc1

InChI Key InChIKey=LDXAPIWITLZXNM-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50090024   

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

Curated by ChEMBL
LigandPNGBDBM50090024((S)-4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4...)
Affinity DataKi:  2.30nMAssay Description:Ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50090024((S)-4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4...)
Affinity DataKi:  320nMAssay Description:Ability to displace [125I]- HEAT from human cloned Alpha-1B adrenergic receptor stably expressed in LM cells.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAlpha-1D adrenergic receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50090024((S)-4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4...)
Affinity DataKi:  710nMAssay Description:Ability to displace [125I]- HEAT from human cloned Alpha-1D adrenergic receptor stably expressed in HEK cells.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed