Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50047165   

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
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50151855 (CHEMBL3775345) Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 Show InChI InChI=1S/C10H19N3O6P2.4Na/c1-8(2)4-3-5-13-7-9(11-12-13)6-10(20(14,15)16)21(17,18)19;;;;/h4,7,10H,3,5-6H2,1-2H3,(H2,14,15,16)(H2,17,18,19);;;;/q;4*+1/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of recombinant FDPS (unknown origin) assessed as radiolabeled FPP formation preincubated for 10 mins followed by addition of 10 uM GPP sub...				ACS Med Chem Lett 6: 1195-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00334 BindingDB Entry DOI: 10.7270/Q25B04DN
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50151852 (CHEMBL3775694) Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]-c1cn(-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])nn1)(P([#8-])([#8-])=O)P([#8-])([#8-])=O Show InChI InChI=1S/C20H35N3O6P2.4Na/c1-16(2)8-6-10-18(5)11-12-20(30(24,25)26,31(27,28)29)14-19-15-23(22-21-19)13-7-9-17(3)4;;;;/h8-9,11,15H,6-7,10,12-14H2,1-5H3,(H2,24,25,26)(H2,27,28,29);;;;/q;4*+1/p-4/b18-11+;;;;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of recombinant FDPS (unknown origin) assessed as radiolabeled FPP formation preincubated for 10 mins followed by addition of 10 uM GPP sub...				ACS Med Chem Lett 6: 1195-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00334 BindingDB Entry DOI: 10.7270/Q25B04DN
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50151859 (CHEMBL3775876) Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 Show InChI InChI=1S/C15H27N3O6P2.4Na/c1-12(2)6-4-7-13(3)8-5-9-18-11-14(16-17-18)10-15(25(19,20)21)26(22,23)24;;;;/h6,8,11,15H,4-5,7,9-10H2,1-3H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/b13-8+;;;;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of recombinant FDPS (unknown origin) assessed as radiolabeled FPP formation preincubated for 10 mins followed by addition of 10 uM GPP sub...				ACS Med Chem Lett 6: 1195-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00334 BindingDB Entry DOI: 10.7270/Q25B04DN
					More data for this Ligand-Target Pair