BDBM50318652 (E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3-chlorophenyl)-4-oxobutanamide::4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide::CHEMBL1084866::NadD inhibitor 1_02::US8785499, 1_02
SMILES: Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
InChI Key: InChIKey=OJLFRDWWYAPUAJ-JVWAILMASA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nicotinate-nucleotide adenylyltransferase (Escherichia coli) | BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Institute for Medical Research | Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds. | Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinate-nucleotide adenylyltransferase (Escherichia coli) | BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 8.00E+3 | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Institute for Medical Research | Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds. | Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis) | BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 9.00E+3 | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Institute for Medical Research | Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds. | Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis) | BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center Curated by ChEMBL | Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of NaMN substrate by malachite gre... | J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis) | BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Institute for Medical Research | Assay Description The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds. | Chem Biol 16: 849-61 (2009) Article DOI: 10.1016/j.chembiol.2009.07.006 BindingDB Entry DOI: 10.7270/Q2N8787C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis) | BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center Curated by ChEMBL | Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of ATP substrate by malachite gree... | J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Probable nicotinate-nucleotide adenylyltransferase (Bacillus anthracis) | BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Southwestern Medical Center Curated by ChEMBL | Assay Description Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re... | J Med Chem 53: 5229-39 (2010) Article DOI: 10.1021/jm100377f BindingDB Entry DOI: 10.7270/Q2Z89DDT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nicotinate-nucleotide adenylyltransferase (Escherichia coli) | BDBM50318652 ((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute US Patent | Assay Description A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,... | US Patent US8785499 (2014) BindingDB Entry DOI: 10.7270/Q2833QPX | |||||||||||
More data for this Ligand-Target Pair |