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BDBM50113285 3-[methyl-(4,8,12-trimethyl-trideca-3,7,11-trienyl)-amino]-propyl trihydrogendiphosphate(3-aza-homoGGPP)::CHEMBL67986

SMILES: [#6]-[#7](-[#6]-[#6]-[#6]-[#8]P([#8])(=O)[#8]P([#8])([#8])=O)-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]

InChI Key: InChIKey=SVYTUSJNSQHMMG-LCAIAVFMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113285   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (Human))		BDBM50113285
PNG
(3-[methyl-(4,8,12-trimethyl-trideca-3,7,11-trienyl...)
Show SMILES [#6]-[#7](-[#6]-[#6]-[#6]-[#8]P([#8])(=O)[#8]P([#8])([#8])=O)-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C20H39NO7P2/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(5)16-9-17-27-30(25,26)28-29(22,23)24/h10,12,14H,6-9,11,13,15-17H2,1-5H3,(H,25,26)(H2,22,23,24)/b19-12+,20-14+
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Similars
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase).

J Med Chem 45: 2185-96 (2002)


BindingDB Entry DOI: 10.7270/Q2KH0MN1
More data for this
Ligand-Target Pair