BindingDB logo
myBDB logout

PubMed code 24300918

Compile data set for download or QSAR
Found 9 hits of 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 diphosphate synthase


(Toxoplasma gondii)		BDBM50444839
PNG
(CHEMBL3099275)
Show SMILES CCCCCCCCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H21FO6P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)		BDBM50444843
PNG
(CHEMBL3099279)
Show SMILES CCCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO7P2/c1-2-3-4-5-6-7-8-11-9-10(12,19(13,14)15)20(16,17)18/h11-12H,2-9H2,1H3,(H2,13,14,15)(H2,16,17,18)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)		BDBM50444842
PNG
(CHEMBL3099278)
Show SMILES CCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H21NO7P2/c1-2-3-4-5-6-9-7-8(10,17(11,12)13)18(14,15)16/h9-10H,2-7H2,1H3,(H2,11,12,13)(H2,14,15,16)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)		BDBM50444844
PNG
(CHEMBL3099276)
Show SMILES CCCCCCCCCC(F)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H23FO6P2/c1-2-3-4-5-6-7-8-9-10(11,18(12,13)14)19(15,16)17/h2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)		BDBM50444841
PNG
(CHEMBL3099277)
Show SMILES CCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H19NO7P2/c1-2-3-4-5-8-6-7(9,16(10,11)12)17(13,14)15/h8-9H,2-6H2,1H3,(H2,10,11,12)(H2,13,14,15)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)		BDBM12576
PNG
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)
Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii recombinant FPPS expressed in Escherichia coli using [4-14C]IPP/DMAPP/GPP as substrate after 30 mins by scintillation...

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)		BDBM50341918
PNG
((2-heptylamino-1-phosphono-ethyl)-phosphonic acid ...)
Show SMILES CCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO6P2/c1-2-3-4-5-6-7-10-8-9(17(11,12)13)18(14,15)16/h9-10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)		BDBM50444840
PNG
(CHEMBL3099280)
Show SMILES CCCCCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H29NO7P2/c1-2-3-4-5-6-7-8-9-10-13-11-12(14,21(15,16)17)22(18,19)20/h13-14H,2-11H2,1H3,(H2,15,16,17)(H2,18,19,20)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 125n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)		BDBM50426987
PNG
(CHEMBL2326224)
Show SMILES CCCCCCCNCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO7P2/c1-2-3-4-5-6-7-10-8-9(11,18(12,13)14)19(15,16)17/h10-11H,2-8H2,1H3,(H2,12,13,14)(H2,15,16,17)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS

Bioorg Med Chem 22: 398-405 (2013)


Article DOI: 10.1016/j.bmc.2013.11.010
BindingDB Entry DOI: 10.7270/Q2Z89DW3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%