Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Putative farnesyl pyrophosphate synthase'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Putative farnesyl pyrophosphate synthase (Cryptosporidium parvum)	BDBM12578 (2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...) Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0500	-61.2	30.1	n/a	n/a	n/a	n/a	7.7	37
University of Toronto					Assay Description Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification.				Chem Biol 15: 1296-306 (2008) Article DOI: 10.1016/j.chembiol.2008.10.017 BindingDB Entry DOI: 10.7270/Q25B00XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Putative farnesyl pyrophosphate synthase (Cryptosporidium parvum)	BDBM12576 (Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...) Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.380	-55.9	45.7	n/a	n/a	n/a	n/a	7.7	37
University of Toronto					Assay Description Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification.				Chem Biol 15: 1296-306 (2008) Article DOI: 10.1016/j.chembiol.2008.10.017 BindingDB Entry DOI: 10.7270/Q25B00XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Putative farnesyl pyrophosphate synthase (Cryptosporidium parvum)	BDBM81349 (IBAN) Show SMILES CCCCCN(C)CCCC(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C10H25NO7P2/c1-3-4-5-8-11(2)9-6-7-10(12,19(13,14)15)20(16,17)18/h12H,3-9H2,1-2H3,(H2,13,14,15)(H2,16,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60	-52.2	52.7	n/a	n/a	n/a	n/a	7.7	37
University of Toronto					Assay Description Enzymatic assay using CpNPPPS was assayed using Reed and Rilling method with some modification.				Chem Biol 15: 1296-306 (2008) Article DOI: 10.1016/j.chembiol.2008.10.017 BindingDB Entry DOI: 10.7270/Q25B00XQ
					More data for this Ligand-Target Pair