BDBM23251 1,2,5-Thiadiazole, TDA1::4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid::LDHA Inhibitor, 1

SMILES: OC(=O)c1ns[nH]c1=O

InChI Key: InChIKey=FVZITYNLUYJDOE-UHFFFAOYSA-N

Data: 1 KI  5 IC50

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 23251   

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
Lactate Dehydrogenase (Plasmodium falciparum)	BDBM23251 (1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...) Show SMILES OC(=O)c1ns[nH]c1=O Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	290	-8.91	140	n/a	n/a	n/a	n/a	7.5	25
University of Bristol					Assay Description An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...				J Biol Chem 279: 31429-39 (2004) Article DOI: 10.1074/jbc.M402433200 BindingDB Entry DOI: 10.7270/Q2CR5RN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM23251 (1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...) Show SMILES OC(=O)c1ns[nH]c1=O Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` di Pisa Curated by ChEMBL					Assay Description Inhibition of human LDH-A using pyruvate as substrate and NADH as cofactor at 125 uM after 5 mins by calorimetric assay relative to control				J Med Chem 54: 1599-612 (2011) Article DOI: 10.1021/jm101007q BindingDB Entry DOI: 10.7270/Q2J38SVC
					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM23251 (1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...) Show SMILES OC(=O)c1ns[nH]c1=O Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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	7.5	21
AstraZeneca					Assay Description Enzyme assay using lactate dehydrogenase A (LDHA).				J Med Chem 55: 3285-306 (2012) Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896
					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM23251 (1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...) Show SMILES OC(=O)c1ns[nH]c1=O Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bristol					Assay Description An LDH enzymatic assay developed for high throughput format was used. The dehydrogenase reaction was run in the lactate to pyruvate direction and cou...				J Biol Chem 279: 31429-39 (2004) Article DOI: 10.1074/jbc.M402433200 BindingDB Entry DOI: 10.7270/Q2CR5RN4
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM23251 (1,2,5-Thiadiazole, TDA1 | 4-hydroxy-1,2,5-thiadiaz...) Show SMILES OC(=O)c1ns[nH]c1=O Show InChI InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+5	n/a	n/a	n/a	n/a	7.5	21
AstraZeneca					Assay Description Enzyme assay using lactate dehydrogenase A (LDHA).				J Med Chem 55: 3285-306 (2012) Article DOI: 10.1021/jm201734r BindingDB Entry DOI: 10.7270/Q21J9896
					More data for this Ligand-Target Pair