BDBM50173802 (Bis-phosphono-methyl)-((S)-1-naphthalen-1-yl-ethyl)-ammonium::CHEMBL197935::[((S)-1-naphthalen-1-yl-ethylamino)-phosphono-methyl]-phosphonic acid

SMILES: C[C@H](N=C(P(O)(O)O)P(O)(O)=O)c1cccc2ccccc12

InChI Key: InChIKey=XQJDAXJYPZTDBP-VIFPVBQESA-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 = 50173802   

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)	BDBM50173802 ((Bis-phosphono-methyl)-((S)-1-naphthalen-1-yl-ethy...) Show SMILES C[C@H](N=C(P(O)(O)O)P(O)(O)=O)c1cccc2ccccc12 |w:3.3| Show InChI InChI=1S/C13H17NO6P2/c1-9(14-13(21(15,16)17)22(18,19)20)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,15-17,21H,1H3,(H2,18,19,20)/t9-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.31E+12	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
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei)	BDBM50173802 ((Bis-phosphono-methyl)-((S)-1-naphthalen-1-yl-ethy...) Show SMILES C[C@H](N=C(P(O)(O)O)P(O)(O)=O)c1cccc2ccccc12 |w:3.3| Show InChI InChI=1S/C13H17NO6P2/c1-9(14-13(21(15,16)17)22(18,19)20)11-8-4-6-10-5-2-3-7-12(10)11/h2-9,15-17,21H,1H3,(H2,18,19,20)/t9-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.97E+4	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