BDBM33480 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(4-bromophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS000569397::SMR000154983::cid_2316100::methyl 3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(4-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate

SMILES COC(=O)c1nnc(NC(=O)c2ccc(Br)cc2)[nH]1

InChI Key InChIKey=LXMVXHNZRJORHN-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 33480   

TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33480(3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carb...)
Affinity DataIC50:  3.85E+3nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33480(3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carb...)
Affinity DataIC50:  3.85E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33480(3-[(4-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carb...)
Affinity DataIC50:  13.7nMpH: 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 DepthDetails PCBioAssay