Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM50520640'   

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))	BDBM50520640 (CHEMBL4472025 | US11279719, Example I-34) Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)c2ccc(F)cc2)c1)P(O)(O)=O Show InChI InChI=1S/C20H17FN4O7P2S/c21-13-6-4-11(5-7-13)18(26)22-14-3-1-2-12(10-14)16-23-17(15-8-9-35-19(15)24-16)25-20(33(27,28)29)34(30,31)32/h1-10,20H,(H,22,26)(H,23,24,25)(H2,27,28,29)(H2,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting				J Med Chem 61: 6904-6917 (2018) Article DOI: 10.1021/acs.jmedchem.8b00886 BindingDB Entry DOI: 10.7270/Q2CJ8HWF
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