BDBM50528603 CHEMBL4544750

SMILES: COc1cc(OC)cc(c1)C(SCC(=O)NO)P(O)(O)=O

InChI Key: InChIKey=XGGBDHVHUYHYBD-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 = 50528603   

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)	BDBM50528603 (CHEMBL4544750) Show SMILES COc1cc(OC)cc(c1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C11H16NO7PS/c1-18-8-3-7(4-9(5-8)19-2)11(20(15,16)17)21-6-10(13)12-14/h3-5,11,14H,6H2,1-2H3,(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	680	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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50528603 (CHEMBL4544750) Show SMILES COc1cc(OC)cc(c1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C11H16NO7PS/c1-18-8-3-7(4-9(5-8)19-2)11(20(15,16)17)21-6-10(13)12-14/h3-5,11,14H,6H2,1-2H3,(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	4.40E+4	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, apicoplastic (Plasmodium falciparum (isolate 3D7))	BDBM50528603 (CHEMBL4544750) Show SMILES COc1cc(OC)cc(c1)C(SCC(=O)NO)P(O)(O)=O Show InChI InChI=1S/C11H16NO7PS/c1-18-8-3-7(4-9(5-8)19-2)11(20(15,16)17)21-6-10(13)12-14/h3-5,11,14H,6H2,1-2H3,(H,12,13)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	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