BDBM79846 4-({[4-allyl-5-(3-chloro-4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-N-1,3-thiazol-2-ylbenzamide::4-[[5-(3-chloranyl-4-methyl-phenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide::4-[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide::4-[[[4-allyl-5-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-thiazol-2-yl-benzamide::4-[[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-N-(2-thiazolyl)benzamide::MLS000581495::SMR000200122::cid_2212798

SMILES Cc1ccc(cc1Cl)-c1nnc(SCc2ccc(cc2)C(=O)Nc2nccs2)n1CC=C

InChI Key InChIKey=GHVNLWJHYZBHBO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 79846   

TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79846(MLS000581495 | 4-[[5-(3-chloranyl-4-methyl-phenyl)...)
Affinity DataIC50: 919nMAssay 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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM79846(MLS000581495 | 4-[[5-(3-chloranyl-4-methyl-phenyl)...)
Affinity DataIC50: 4.95E+3nMAssay 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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay