BDBM26115 CHEMBL286204::Quinolinate::Quinolinic acid::pyridine carboxylate, 6c::pyridine-2,3-dicarboxylic acid

SMILES: OC(=O)c1cccnc1C(O)=O

InChI Key: InChIKey=GJAWHXHKYYXBSV-UHFFFAOYSA-N

Data: 8 KI  1 IC50  2 Kd

PDB links: 10 PDB IDs match this monomer. 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 26115   

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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by PDSP Ki Database									Eur J Pharmacol 189: 381-91 (1990) Article DOI: 10.1016/0922-4106(90)90035-v BindingDB Entry DOI: 10.7270/Q2MW2FNT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by PDSP Ki Database									Eur J Pharmacol 189: 381-91 (1990) Article DOI: 10.1016/0922-4106(90)90035-v BindingDB Entry DOI: 10.7270/Q2MW2FNT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by PDSP Ki Database									Eur J Pharmacol 189: 381-91 (1990) Article DOI: 10.1016/0922-4106(90)90035-v BindingDB Entry DOI: 10.7270/Q2MW2FNT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by PDSP Ki Database									Eur J Pharmacol 189: 381-91 (1990) Article DOI: 10.1016/0922-4106(90)90035-v BindingDB Entry DOI: 10.7270/Q2MW2FNT
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	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 Ki Database									Br J Pharmacol 95: 932-8 (1988) Article DOI: 10.1111/j.1476-5381.1988.tb11723.x BindingDB Entry DOI: 10.7270/Q2Z036NF
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	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 Ki Database									Br J Pharmacol 95: 932-8 (1988) Article DOI: 10.1111/j.1476-5381.1988.tb11723.x BindingDB Entry DOI: 10.7270/Q2Z036NF
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Royal Danish School of Pharmacy Curated by PDSP Ki Database									Eur J Pharmacol 189: 381-91 (1990) Article DOI: 10.1016/0922-4106(90)90035-v BindingDB Entry DOI: 10.7270/Q2MW2FNT
					More data for this Ligand-Target Pair
Beta-lactamase (Aeromonas hydrophila)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila beta lactamase CphA by competitive inhibition assay				Antimicrob Agents Chemother 51: 2136-42 (2007) Article DOI: 10.1128/aac.00866-06 BindingDB Entry DOI: 10.7270/Q23T9M0P
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Rattus norvegicus)	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Binding affinity to Wistar rat His-tagged RAGE domain VC1 expressed in Escherichia coli by fluorescence titration method				J Med Chem 60: 7213-7232 (2017) Article DOI: 10.1021/acs.jmedchem.7b00058 BindingDB Entry DOI: 10.7270/Q2KD21BP
					More data for this Ligand-Target Pair
Advanced glycosylation end product-specific receptor (Homo sapiens (Human))	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Binding affinity to human His-tagged RAGE domain VC1 expressed in Escherichia coli by fluorescence titration method				J Med Chem 60: 7213-7232 (2017) Article DOI: 10.1021/acs.jmedchem.7b00058 BindingDB Entry DOI: 10.7270/Q2KD21BP
					More data for this Ligand-Target Pair
Histone Lysine Demethylase (Homo sapiens (Human))	BDBM26115 (CHEMBL286204 | Quinolinate | Quinolinic acid | pyr...) Show SMILES OC(=O)c1cccnc1C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>5.00E+6	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
					More data for this Ligand-Target Pair				3D Structure (docked)