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BDBM50151855 CHEMBL3775345

SMILES: [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1

InChI Key: InChIKey=GMGHLFNVYBEISV-UHFFFAOYSA-J

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50151855   
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))
BDBM50151855
PNG
(CHEMBL3775345)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C10H19N3O6P2.4Na/c1-8(2)4-3-5-13-7-9(11-12-13)6-10(20(14,15)16)21(17,18)19;;;;/h4,7,10H,3,5-6H2,1-2H3,(H2,14,15,16)(H2,17,18,19);;;;/q;4*+1/p-4
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 430n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant GGDPS (unknown origin) assessed as radiolabeled GGPP formation preincubated for 10 mins followed by addition of 10 uM FPP s...


ACS Med Chem Lett 6: 1195-8 (2015)


BindingDB Entry DOI: 10.7270/Q25B04DN
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50151855
PNG
(CHEMBL3775345)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1
Show InChI InChI=1S/C10H19N3O6P2.4Na/c1-8(2)4-3-5-13-7-9(11-12-13)6-10(20(14,15)16)21(17,18)19;;;;/h4,7,10H,3,5-6H2,1-2H3,(H2,14,15,16)(H2,17,18,19);;;;/q;4*+1/p-4
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) assessed as radiolabeled FPP formation preincubated for 10 mins followed by addition of 10 uM GPP sub...


ACS Med Chem Lett 6: 1195-8 (2015)


BindingDB Entry DOI: 10.7270/Q25B04DN
More data for this
Ligand-Target Pair