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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM50520641'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50520641
PNG
(CHEMBL4455060 | US11279719, Example I-13)
Show SMILES OP(O)(=O)C(Nc1nc(nc2sccc12)-c1cccc(NC(=O)c2ccccc2)c1)P(O)(O)=O
Show InChI InChI=1S/C20H18N4O7P2S/c25-18(12-5-2-1-3-6-12)21-14-8-4-7-13(11-14)16-22-17(15-9-10-34-19(15)23-16)24-20(32(26,27)28)33(29,30)31/h1-11,20H,(H,21,25)(H,22,23,24)(H2,26,27,28)(H2,29,30,31)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting


J Med Chem 61: 6904-6917 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00886
BindingDB Entry DOI: 10.7270/Q2CJ8HWF
More data for this
Ligand-Target Pair