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SMILES: Cc1ccc(cc1)-c1cc2c(NCC(O)=O)ncnc2s1

InChI Key: InChIKey=UJTZHUJTAFPTGI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50022666   

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 (Homo sapiens (Human))	BDBM50022666 (CHEMBL3299050) Show SMILES Cc1ccc(cc1)-c1cc2c(NCC(O)=O)ncnc2s1 Show InChI InChI=1S/C15H13N3O2S/c1-9-2-4-10(5-3-9)12-6-11-14(16-7-13(19)20)17-8-18-15(11)21-12/h2-6,8H,7H2,1H3,(H,19,20)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l...				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM50022666 (CHEMBL3299050) Show SMILES Cc1ccc(cc1)-c1cc2c(NCC(O)=O)ncnc2s1 Show InChI InChI=1S/C15H13N3O2S/c1-9-2-4-10(5-3-9)12-6-11-14(16-7-13(19)20)17-8-18-15(11)21-12/h2-6,8H,7H2,1H3,(H,19,20)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of FPPS (unknown origin)				J Med Chem 57: 5764-76 (2014) Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR
					More data for this Ligand-Target Pair