BDBM50235469 CHEMBL4082744

SMILES: Cc1ccc(cc1)-c1cc2c(NC(CC3CCC3)P(O)(O)=O)ncnc2s1

InChI Key: InChIKey=AEOZNSOWXBNICL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235469   

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))	BDBM50235469 (CHEMBL4082744) Show SMILES Cc1ccc(cc1)-c1cc2c(NC(CC3CCC3)P(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C19H22N3O3PS/c1-12-5-7-14(8-6-12)16-10-15-18(20-11-21-19(15)27-16)22-17(26(23,24)25)9-13-3-2-4-13/h5-8,10-11,13,17H,2-4,9H2,1H3,(H,20,21,22)(H2,23,24,25)	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	2.80E+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
					More data for this Ligand-Target Pair