BDBM33719 2-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester::2-[[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester::MLS000563922::SMR000176980::[(6-Methyl-benzothiazol-2-ylcarbamoyl)-methylsulfanyl]-acetic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester::[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate::[2-(4-bromophenyl)-2-oxoethyl] 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate::cid_3132120

SMILES Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccc(Br)cc3)sc2c1

InChI Key InChIKey=LBIRYDZOCOFCRU-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 33719   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33719(SMR000176980 | cid_3132120 | [2-(4-bromophenyl)-2-...)
Affinity DataIC50: 39.3nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM33719(SMR000176980 | cid_3132120 | [2-(4-bromophenyl)-2-...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM33719(SMR000176980 | cid_3132120 | [2-(4-bromophenyl)-2-...)
Affinity DataIC50: 3.57E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM33719(SMR000176980 | cid_3132120 | [2-(4-bromophenyl)-2-...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay