BDBM50235465 CHEMBL4068738

SMILES: COc1cc(C)c(Cl)cc1-c1cc2c(NC(Cc3ccccc3)P(O)(O)=O)ncnc2s1

InChI Key: InChIKey=LEEMOJCYMBHKRH-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235465   

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 diphosphate synthase (Homo sapiens (Human))	BDBM50235465 (CHEMBL4068738) Show SMILES COc1cc(C)c(Cl)cc1-c1cc2c(NC(Cc3ccccc3)P(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C22H21ClN3O4PS/c1-13-8-18(30-2)15(10-17(13)23)19-11-16-21(24-12-25-22(16)32-19)26-20(31(27,28)29)9-14-6-4-3-5-7-14/h3-8,10-12,20H,9H2,1-2H3,(H,24,25,26)(H2,27,28,29)	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [3H]-IPP as substrate preincubated ...				J Med Chem 60: 2119-2134 (2017) Article DOI: 10.1021/acs.jmedchem.6b01888 BindingDB Entry DOI: 10.7270/Q23F4RXR
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