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SMILES: OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O

InChI Key: InChIKey=GQXFZEWSJBOLCT-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36508   
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
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM36508
PNG
(3-(Carboxymethyl)-4,7-dichloro-1H-indole-2-carboxy...)
Show SMILES OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O
Show InChI InChI=1S/C11H7Cl2NO4/c12-5-1-2-6(13)10-8(5)4(3-7(15)16)9(14-10)11(17)18/h1-2,14H,3H2,(H,15,16)(H,17,18)
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Similars

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)