BDBM50173752 (3-(methoxymethyl)phenylamino)methylenediphosphonic acid::CHEMBL198409::[(3-Methoxymethyl-phenylamino)-phosphono-methyl]-phosphonic acid

SMILES: COCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1

InChI Key: InChIKey=UPNMVWJNFVTIOS-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 = 50173752   

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
Hexokinase (Trypanosoma cruzi)	BDBM50173752 ((3-(methoxymethyl)phenylamino)methylenediphosphoni...) Show SMILES COCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C9H15NO7P2/c1-17-6-7-3-2-4-8(5-7)10-9(18(11,12)13)19(14,15)16/h2-5,9-10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi hexokinase				J Med Chem 49: 215-23 (2006) Article DOI: 10.1021/jm0582625 BindingDB Entry DOI: 10.7270/Q2BV7G6G
					More data for this Ligand-Target Pair
Hexokinase (Trypanosoma cruzi)	BDBM50173752 ((3-(methoxymethyl)phenylamino)methylenediphosphoni...) Show SMILES COCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C9H15NO7P2/c1-17-6-7-3-2-4-8(5-7)10-9(18(11,12)13)19(14,15)16/h2-5,9-10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi hexokinase				J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH
					More data for this Ligand-Target Pair
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM50173752 ((3-(methoxymethyl)phenylamino)methylenediphosphoni...) Show SMILES COCc1cccc(NC(P(O)(O)=O)P(O)(O)=O)c1 Show InChI InChI=1S/C9H15NO7P2/c1-17-6-7-3-2-4-8(5-7)10-9(18(11,12)13)19(14,15)16/h2-5,9-10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli				J Med Chem 48: 6128-39 (2005) Article DOI: 10.1021/jm058220g BindingDB Entry DOI: 10.7270/Q2F47PX2
					More data for this Ligand-Target Pair