BDBM50028384 CHEMBL3342268

SMILES: OP(O)(=O)CCC(c1cccc2ccccc12)P(O)(O)=O

InChI Key: InChIKey=QOWPWKHZCBRXEB-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 = 50028384   

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)	BDBM50028384 (CHEMBL3342268) Show SMILES OP(O)(=O)CCC(c1cccc2ccccc12)P(O)(O)=O Show InChI InChI=1S/C13H16O6P2/c14-20(15,16)9-8-13(21(17,18)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H2,14,15,16)(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50028384 (CHEMBL3342268) Show SMILES OP(O)(=O)CCC(c1cccc2ccccc12)P(O)(O)=O Show InChI InChI=1S/C13H16O6P2/c14-20(15,16)9-8-13(21(17,18)19)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9H2,(H2,14,15,16)(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich Heine Universit£t Curated by ChEMBL					Assay Description Inhibition of Escherichia coli M15 recombinant IspC using 1-deoxy-D-xylulose 5-phosphate as substrate by photometric analysis				J Med Chem 57: 8827-38 (2014) Article DOI: 10.1021/jm500850y BindingDB Entry DOI: 10.7270/Q2KP83RX
					More data for this Ligand-Target Pair