BindingDB PrimarySearch

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: 3 KI 8 IC50

PDB links: 17 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 26116
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by PDSP K_i Database									Br J Pharmacol 95: 932-8 (1988) Article DOI: 10.1111/j.1476-5381.1988.tb11723.x BindingDB Entry DOI: 10.7270/Q2Z036NF
CIBA-GEIGY Corporation Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by PDSP K_i Database									Br J Pharmacol 95: 932-8 (1988) Article DOI: 10.1111/j.1476-5381.1988.tb11723.x BindingDB Entry DOI: 10.7270/Q2Z036NF
CIBA-GEIGY Corporation Curated by PDSP K_i Database					More data for this Ligand-Target Pair
4-hydroxy-2-oxoglutarate aldolase, mitochondrial (Homo sapiens (Human))	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Inhibition of dihydrodipicolinate synthase				Bioorg Med Chem Lett 18: 460-3 (2008) Article DOI: 10.1016/j.bmcl.2007.11.108 BindingDB Entry DOI: 10.7270/Q2QZ29QP
University of Melbourne Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase L1 (Stenotrophomonas maltophilia)	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme				Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase 2 (Bacillus cereus)	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme				Bioorg Med Chem Lett 14: 1299-304 (2004) Article DOI: 10.1016/j.bmcl.2003.12.037 BindingDB Entry DOI: 10.7270/Q22Z14ZG
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8-OH-DPAT in rat brain.				J Med Chem 60: 7267-7283 (2017) Article DOI: 10.1021/acs.jmedchem.7b00407 BindingDB Entry DOI: 10.7270/Q2P27185
University of California at San Diego Curated by ChEMBL					More data for this Ligand-Target Pair
VIM-1 (Pseudomonas aeruginosa)	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Son Dureta Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins				Antimicrob Agents Chemother 52: 3589-96 (2008) Article DOI: 10.1128/AAC.00465-08 BindingDB Entry DOI: 10.7270/Q2JQ1186
Hospital Son Dureta Curated by ChEMBL					More data for this Ligand-Target Pair
Class B carbapenemase VIM-13 (Pseudomonas aeruginosa)	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hospital Son Dureta Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa VIM-13 beta-lactamase after 10 mins				Antimicrob Agents Chemother 52: 3589-96 (2008) Article DOI: 10.1128/AAC.00465-08 BindingDB Entry DOI: 10.7270/Q2JQ1186
Hospital Son Dureta Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrodipicolinate synthase (Streptomyces coelicolor)	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibibition of dihydrodipicolinic acid synthase.				Bioorg Med Chem Lett 4: 2267-2272 (1994) Article DOI: 10.1016/0960-894X(94)85023-2 BindingDB Entry DOI: 10.7270/Q29C6ZM4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Metallo-beta-lactamase VIM-2 (VIM-2) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Diego Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa VIM2 expressed in Escherichia coli BL21(DE3) using chromacef as substrate preincubated for 10 mins followed by s...				J Med Chem 60: 7267-7283 (2017) Article DOI: 10.1021/acs.jmedchem.7b00407 BindingDB Entry DOI: 10.7270/Q2P27185
University of California at San Diego Curated by ChEMBL					More data for this Ligand-Target Pair
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM26116 (CHEMBL284104 \| Dipicolinate \| pyridine carboxylate...) Show SMILES OC(=O)c1cccc(n1)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	7.5	37
University of Oxford					Assay Description A coupled-assay for JMJD2E activity employing formaldehyde dehydrogenase (FDH) from Pseudomonas putida was developed. Formaldehyde release by demethy...				J Med Chem 51: 7053-6 (2008) Article DOI: 10.1021/jm800936s BindingDB Entry DOI: 10.7270/Q2959FV4
University of Oxford					More data for this Ligand-Target Pair				3D Structure (docked)