BDBM50081647 CHEMBL3422252

SMILES: CC(CC(=O)N(C)O)CP(O)(O)=O

InChI Key: InChIKey=ACPXIHKQSXLCRP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50081647   

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 (Escherichia coli)	BDBM50081647 (CHEMBL3422252) Show SMILES CC(CC(=O)N(C)O)CP(O)(O)=O Show InChI InChI=1S/C6H14NO5P/c1-5(4-13(10,11)12)3-6(8)7(2)9/h5,9H,3-4H2,1-2H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081647 (CHEMBL3422252) Show SMILES CC(CC(=O)N(C)O)CP(O)(O)=O Show InChI InChI=1S/C6H14NO5P/c1-5(4-13(10,11)12)3-6(8)7(2)9/h5,9H,3-4H2,1-2H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	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