BDBM86123 LDHA Inhibitor, 18
SMILES: OC(=O)CCC(=O)Nc1ccc2nc(SCC=C)sc2c1
InChI Key: InChIKey=MTRGAKUTJCSVKA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
L-lactate dehydrogenase A (Rattus norvegicus (Rat)) | BDBM86123 (LDHA Inhibitor, 18) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 1.30E+5 | n/a | n/a | n/a | 7.5 | n/a |
AstraZeneca | Assay Description A BIAcore 3000 or a BIAcore S51 instrument (GE Healthcare) was used to detect binding interactions using a direct binding assay format. | 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 | 3D Structure (crystal) | ||||||||||||
L-lactate dehydrogenase A (Rattus norvegicus (Rat)) | BDBM86123 (LDHA Inhibitor, 18) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | >5.00E+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 | 3D Structure (crystal) | ||||||||||||
L-lactate dehydrogenase A (Rattus norvegicus (Rat)) | BDBM86123 (LDHA Inhibitor, 18) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | 7.5 | n/a |
AstraZeneca | Assay Description NMR spectra were acquired on Bruker Avance 600 MHz spectrometers at 298 K using a 5 mm triple-resonance HCN cryoprobe. Ligand binding was detected u... | 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 | 3D Structure (crystal) |