BDBM26116 CHEMBL284104::Dipicolinate::pyridine carboxylate, 6d::pyridine-2,6-dicarboxylic acid

SMILES OC(=O)c1cccc(n1)C(O)=O

InChI Key InChIKey=WJJMNDUMQPNECX-UHFFFAOYSA-N

Data  4 KI  11 IC50

PDB links: 18 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 26116   

TargetLysine-specific demethylase 4E(Human)
University of Oxford

LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 1.20E+5nMpH: 7.5 T: 2°CAssay Description:A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMetallo-beta-lactamase L1 type 3(Pseudomonas maltophilia)
Southern Methodist University

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 7.80E+3nMAssay Description:Beta-Lactamase Inhibition of metallo-beta-lactamase representative class B (L1) enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMetallo-beta-lactamase type 2(Bacillus cereus)
Southern Methodist University

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 2.18E+4nMAssay Description:Inhibition of class B (BCII) metallo-beta-lactamase representative enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetVIM-1 protein(Pseudomonas aeruginosa)
Hospital Son Dureta

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 4.16E+4nMAssay Description:Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetVIM-13(Pseudomonas aeruginosa)
Hospital Son Dureta

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 4.80E+4nMAssay Description:Inhibition of Pseudomonas aeruginosa VIM-13 beta-lactamase after 10 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPutative dihydropicolinate synthase(Streptomyces coelicolor)
TBA

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 4.00E+5nMAssay Description:Inhibitory activity against dihydrodipicolinic acid synthaseMore data for this Ligand-Target Pair
In DepthDetails Article

TargetMetallo-beta-lactamase VIM-2(Pseudomonas aeruginosa (g-Proteobacteria))
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 1.66E+3nMAssay Description:Inhibition of Pseudomonas aeruginosa VIM2 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by s...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMetallo-beta-lactamase type 2(Serratia marcescens)
University of California San Diego

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 3.03E+3nMAssay Description:Inhibition of Serratia marcescens IMP1 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by subs...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target2-amino-3-carboxymuconate-6-semialdehyde decarboxylase(Human)
University of Texas At San Antonio

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of ACMSD (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 4E(Human)
University of Oxford

LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of KDM4E (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Freie University Berlin

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of C-terminal 6His-tagged full length NDM-1 (unknown origin) expressed in Escherichia coli BL21-DE3 using nitrocefin as substrate incubate...More data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target2-amino-3-carboxymuconate-6-semialdehyde decarboxylase(Human)
University of Texas At San Antonio

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataKi:  1.52E+4nMAssay Description:Competitive inhibition of human ACMSD using ACMS substrate by spectrometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
Target4-hydroxy-2-oxoglutarate aldolase, mitochondrial(Human)
University of Melbourne

Curated by ChEMBL
LigandPNGBDBM26116(Dipicolinate | CHEMBL284104 | pyridine-2,6-dicarbo...)
Affinity DataKi:  1.10E+7nMAssay Description:Inhibition of dihydrodipicolinate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed