BDBM50165342 CHEMBL193356::hydrogen 1-hydroxy-2-(3-methylpyridinium-1-yl)-1-phosphonoethylphosphonate

SMILES: Cc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1

InChI Key: InChIKey=WNMNDCTVXVBAFC-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50165342   

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
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7))	BDBM50165342 (CHEMBL193356 | hydrogen 1-hydroxy-2-(3-methylpyrid...) Show SMILES Cc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H13NO7P2/c1-7-3-2-4-9(5-7)6-8(10,17(11,12)13)18(14,15)16/h2-5,10H,6H2,1H3,(H3-,11,12,13,14,15,16)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Urbana-Champaign Curated by ChEMBL					Assay Description Binding affinity towards Farnesyl diphosphate synthase from leishmania major				J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K
					More data for this Ligand-Target Pair
(E)-1-hydroxy-2-methyl-but-2-enyl 4-diphosphate reductase (IspH) (Aquifex aeolicus)	BDBM50165342 (CHEMBL193356 | hydrogen 1-hydroxy-2-(3-methylpyrid...) Show SMILES Cc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1 Show InChI InChI=1S/C8H13NO7P2/c1-7-3-2-4-9(5-7)6-8(10,17(11,12)13)18(14,15)16/h2-5,10H,6H2,1H3,(H3-,11,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+5	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 Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate				J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5
					More data for this Ligand-Target Pair