BDBM50318653 3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide::3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide::CHEMBL1084955::NadD inhibitor 3_02::US8785499, 3_02

SMILES c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N

InChI Key InChIKey=UCTSEHMMSSIODN-UHFFFAOYSA-N

Data  6 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50318653   

TargetNicotinate-nucleotide adenylyltransferase(Escherichia coli (strain K12))
University of Maryland, Baltimore

US Patent
LigandPNGBDBM50318653(NadD inhibitor 3_02 | CHEMBL1084955 | US8785499, 3...)
Affinity DataIC50: 6.50E+4nMpH: 7.5 T: 2°CAssay Description:A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2014
Entry Details
Go to US Patent

TargetProbable nicotinate-nucleotide adenylyltransferase(Bacillus anthracis)
Burnham Institute For Medical Research

LigandPNGBDBM50318653(NadD inhibitor 3_02 | CHEMBL1084955 | US8785499, 3...)
Affinity DataKi:  1.80E+4nM IC50: 3.60E+4nMAssay Description:The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProbable nicotinate-nucleotide adenylyltransferase(Bacillus anthracis)
Burnham Institute For Medical Research

LigandPNGBDBM50318653(NadD inhibitor 3_02 | CHEMBL1084955 | US8785499, 3...)
Affinity DataKi:  1.80E+4nMAssay Description:Inhibition of Bacillus anthracis nicotinate-nucleotide adenosyltransferase preincubated for 5 mins before addition of NaMN substrate by malachite gre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNicotinate-nucleotide adenylyltransferase(Escherichia coli (strain K12))
University of Maryland, Baltimore

US Patent
LigandPNGBDBM50318653(NadD inhibitor 3_02 | CHEMBL1084955 | US8785499, 3...)
Affinity DataKi:  2.10E+4nMAssay Description:The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2011
Entry Details Article
PubMed
TargetNicotinate-nucleotide adenylyltransferase(Escherichia coli (strain K12))
University of Maryland, Baltimore

US Patent
LigandPNGBDBM50318653(NadD inhibitor 3_02 | CHEMBL1084955 | US8785499, 3...)
Affinity DataKi:  2.50E+4nM IC50: 6.50E+4nMAssay Description:The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2011
Entry Details Article
PubMed
TargetProbable nicotinate-nucleotide adenylyltransferase(Bacillus anthracis)
Burnham Institute For Medical Research

LigandPNGBDBM50318653(NadD inhibitor 3_02 | CHEMBL1084955 | US8785499, 3...)
Affinity DataKi:  3.20E+4nMAssay Description:The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProbable nicotinate-nucleotide adenylyltransferase(Bacillus anthracis)
Burnham Institute For Medical Research

LigandPNGBDBM50318653(NadD inhibitor 3_02 | CHEMBL1084955 | US8785499, 3...)
Affinity DataKi:  3.20E+4nMAssay Description:Inhibition of Bacillus anthracis nicotinate-nucleotide adenosyltransferase preincubated for 5 mins before addition of ATP substrate by malachite gree...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)