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PDB code 6N82

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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

  (353/354 > 99%)
(Homo sapiens (Human))
BDBM50235471
PNG
(CHEMBL4062596)
Show SMILES Cc1ccc(cc1Cl)-c1cc2c(NC(Cc3cccc(F)c3)P(O)(O)=O)ncnc2s1
Show InChI InChI=1S/C21H18ClFN3O3PS/c1-12-5-6-14(9-17(12)22)18-10-16-20(24-11-25-21(16)31-18)26-19(30(27,28)29)8-13-3-2-4-15(23)7-13/h2-7,9-11,19H,8H2,1H3,(H,24,25,26)(H2,27,28,29)
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MMDB

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Article
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n/an/a 860n/an/an/an/an/an/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
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output