BDBM50528602 CHEMBL4567904

SMILES: ONC(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O

InChI Key: InChIKey=CHWZNLZHQNRDMJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50528602   

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, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528602 (CHEMBL4567904) Show SMILES ONC(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O Show InChI InChI=1S/C9H10F2NO5PS/c10-6-1-5(2-7(11)3-6)9(18(15,16)17)19-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum IspC expressed in Escherichia coli using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric a...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50528602 (CHEMBL4567904) Show SMILES ONC(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O Show InChI InChI=1S/C9H10F2NO5PS/c10-6-1-5(2-7(11)3-6)9(18(15,16)17)19-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by phot...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50528602 (CHEMBL4567904) Show SMILES ONC(=O)CSC(c1cc(F)cc(F)c1)P(O)(O)=O Show InChI InChI=1S/C9H10F2NO5PS/c10-6-1-5(2-7(11)3-6)9(18(15,16)17)19-4-8(13)12-14/h1-3,9,14H,4H2,(H,12,13)(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli IspC expressed in Escherichia coli M15 using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric as...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.058
					More data for this Ligand-Target Pair