BDBM61586 (4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylic acid methyl ester::(4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-[(phenylmethyl)amino]-4H-pyrimidine-5-carboxylic acid methyl ester::MLS000829930::SMR000672092::cid_24789247::methyl (4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6-methyl-4H-pyrimidine-5-carboxylate::methyl (4S)-4-(3-fluorophenyl)-6-methyl-1-(phenylmethyl)-2-[(phenylmethyl)amino]-4H-pyrimidine-5-carboxylate

SMILES COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(F)c1

InChI Key InChIKey=LXYYCFBEHHEXJY-VWLOTQADSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 61586   

TargetG-protein coupled receptor 55(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61586((4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6...)
Affinity DataIC50:  1.25E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetRNA-editing ligase 1, mitochondrial(Trypanosoma brucei brucei)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61586((4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6...)
Affinity DataIC50: >9.66E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61586((4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6...)
Affinity DataIC50:  1.79E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61586((4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6...)
Affinity DataIC50: >6.62E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay