BDBM23242 1,2(1,5)-Isoxazole, IOA1::3-hydroxy-1,2-oxazole-4-carboxylic acid
SMILES: OC(=O)c1co[nH]c1=O
InChI Key: InChIKey=JLPHBZYAQYOJND-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lactate Dehydrogenase (Plasmodium falciparum) | BDBM23242 (1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 470 | -8.63 | 1.10E+3 | 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)) | BDBM23242 (1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...) | 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 | 5.40E+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)) | BDBM23242 (1,2(1,5)-Isoxazole, IOA1 | 3-hydroxy-1,2-oxazole-4...) | 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 | 5.40E+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 |