BDBM50235479 CHEMBL4089846

SMILES: COc1cc(C)c(Cl)cc1-c1cc2c(NC(c3ccccc3)P(O)(O)=O)ncnc2s1

InChI Key: InChIKey=PUCADKGSHKZQBD-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 = 50235479   

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))	BDBM50235479 (CHEMBL4089846) Show SMILES COc1cc(C)c(Cl)cc1-c1cc2c(NC(c3ccccc3)P(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C21H19ClN3O4PS/c1-12-8-17(29-2)14(9-16(12)22)18-10-15-19(23-11-24-21(15)31-18)25-20(30(26,27)28)13-6-4-3-5-7-13/h3-11,20H,1-2H3,(H,23,24,25)(H2,26,27,28)	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	8.40E+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