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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Geranylgeranyl diphosphate synthase (GGPPS)' and Ligand = 'BDBM25297'   
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
Geranylgeranyl diphosphate synthase (GGPPS)


(Saccharomyces cerevisiae (Yeast))
BDBM25297
PNG
(1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...)
Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Binding affinity to Saccharomyces cerevisiae GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair
Geranylgeranyl diphosphate synthase (GGPPS)


(Saccharomyces cerevisiae (Yeast))
BDBM25297
PNG
(1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...)
Show SMILES OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Institute of Biological Chemistry

Curated by ChEMBL


Assay Description
Inhibition of Saccharomyces cerevisiae GGPPS


Proc Natl Acad Sci USA 104: 10022-7 (2007)


Article DOI: 10.1073/pnas.0702254104
BindingDB Entry DOI: 10.7270/Q2MW2J2F
More data for this
Ligand-Target Pair