BDBM50081648 CHEMBL3422254

SMILES: [Na+].CN(O)C(=O)CC(CCc1ccccc1)CP(O)([O-])=O

InChI Key: InChIKey=JUYNHKHBYDOVCS-UHFFFAOYSA-M

Data: 1 IC50

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 1 hit for monomerid = 50081648   

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)	BDBM50081648 (CHEMBL3422254) Show SMILES [Na+].CN(O)C(=O)CC(CCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C13H20NO5P/c1-14(16)13(15)9-12(10-20(17,18)19)8-7-11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3,(H2,17,18,19)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair