BDBM50335494 (quinolin-2-ylmethyl)phosphonic acid::CHEMBL1615247::Quinolin-2-ylmethylphosphonic acid
SMILES: OP(O)(=O)Cc1ccc2ccccc2n1
InChI Key: InChIKey=SZCYKKWPKXABPU-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis) | BDBM50335494![]() ((quinolin-2-ylmethyl)phosphonic acid | CHEMBL16152...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and MgCl2 as cofactor preinc... | J Med Chem 54: 4721-34 (2011) Article DOI: 10.1021/jm200363d BindingDB Entry DOI: 10.7270/Q2NK3FCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli) | BDBM50335494![]() ((quinolin-2-ylmethyl)phosphonic acid | CHEMBL16152...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli DXR | ACS Med Chem Lett 2: 165-170 (2011) Article DOI: 10.1021/ml100243r BindingDB Entry DOI: 10.7270/Q2XD12NV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |