BDBM50437797 CHEMBL2407184
SMILES: ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1
InChI Key: InChIKey=ZQCVCGYWPNFEAH-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 |
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1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis) | BDBM50437797![]() (CHEMBL2407184) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH | J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis) | BDBM50437797![]() (CHEMBL2407184) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2 | J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |