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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'malayil' and Initial = 'l'   
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


(Trypanosoma cruzi)
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)
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n/an/a 27n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
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)
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n/an/a 58n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50341912
PNG
(1-[(n-Dec-1-ylamino)ethyl]1,1-bisphosphonic acid |...)
Show SMILES CCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H29NO6P2/c1-2-3-4-5-6-7-8-9-10-13-11-12(20(14,15)16)21(17,18)19/h12-13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a 68n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
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)
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n/an/a 74n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50341914
PNG
(1-[(n-Dodec-1-ylamino)ethyl]1,1-bisphosphonic acid...)
Show SMILES CCCCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H33NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(22(16,17)18)23(19,20)21/h14-15H,2-13H2,1H3,(H2,16,17,18)(H2,19,20,21)
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n/an/a 93n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50341917
PNG
(1-[(n-hex-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 140n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341916
PNG
(1-[(n-oct-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-11-9-10(18(12,13)14)19(15,16)17/h10-11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 272n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50341915
PNG
(1-[(n-Tetradec-1-ylamino)ethyl]1,1-bisphosphonic a...)
Show SMILES CCCCCCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C16H37NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(24(18,19)20)25(21,22)23/h16-17H,2-15H2,1H3,(H2,18,19,20)(H2,21,22,23)
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n/an/a 292n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341911
PNG
(1-[(n-Non-1-ylamino)ethyl]1,1-bisphosphonic acid |...)
Show SMILES CCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H27NO6P2/c1-2-3-4-5-6-7-8-9-12-10-11(19(13,14)15)20(16,17)18/h11-12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 430n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50341911
PNG
(1-[(n-Non-1-ylamino)ethyl]1,1-bisphosphonic acid |...)
Show SMILES CCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H27NO6P2/c1-2-3-4-5-6-7-8-9-12-10-11(19(13,14)15)20(16,17)18/h11-12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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n/an/a 440n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341917
PNG
(1-[(n-hex-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 490n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341914
PNG
(1-[(n-Dodec-1-ylamino)ethyl]1,1-bisphosphonic acid...)
Show SMILES CCCCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H33NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(22(16,17)18)23(19,20)21/h14-15H,2-13H2,1H3,(H2,16,17,18)(H2,19,20,21)
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n/an/a 811n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341913
PNG
(1-[(n-Undec-1-ylamino)ethyl]1,1-bisphosphonic acid...)
Show SMILES CCCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H31NO6P2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(21(15,16)17)22(18,19)20/h13-14H,2-12H2,1H3,(H2,15,16,17)(H2,18,19,20)
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n/an/a 856n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Toxoplasma gondii)
BDBM50341913
PNG
(1-[(n-Undec-1-ylamino)ethyl]1,1-bisphosphonic acid...)
Show SMILES CCCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H31NO6P2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(21(15,16)17)22(18,19)20/h13-14H,2-12H2,1H3,(H2,15,16,17)(H2,18,19,20)
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n/an/a 868n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341915
PNG
(1-[(n-Tetradec-1-ylamino)ethyl]1,1-bisphosphonic a...)
Show SMILES CCCCCCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C16H37NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(24(18,19)20)25(21,22)23/h16-17H,2-15H2,1H3,(H2,18,19,20)(H2,21,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341912
PNG
(1-[(n-Dec-1-ylamino)ethyl]1,1-bisphosphonic acid |...)
Show SMILES CCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H29NO6P2/c1-2-3-4-5-6-7-8-9-10-13-11-12(20(14,15)16)21(17,18)19/h12-13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341910
PNG
(1-[(Benzylamino)ethyl]1,1-bisphosphonic acid | CHE...)
Show SMILES OP(O)(=O)C(CNCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C9H15NO6P2/c11-17(12,13)9(18(14,15)16)7-10-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,11,12,13)(H2,14,15,16)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341916
PNG
(1-[(n-oct-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C10H25NO6P2/c1-2-3-4-5-6-7-8-11-9-10(18(12,13)14)19(15,16)17/h10-11H,2-9H2,1H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341917
PNG
(1-[(n-hex-1-ylamino)ethyl]-1,1-bisphosphonic acid ...)
Show SMILES CCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H21NO6P2/c1-2-3-4-5-6-9-7-8(16(10,11)12)17(13,14)15/h8-9H,2-7H2,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341913
PNG
(1-[(n-Undec-1-ylamino)ethyl]1,1-bisphosphonic acid...)
Show SMILES CCCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H31NO6P2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13(21(15,16)17)22(18,19)20/h13-14H,2-12H2,1H3,(H2,15,16,17)(H2,18,19,20)
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n/an/a 3.08E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341914
PNG
(1-[(n-Dodec-1-ylamino)ethyl]1,1-bisphosphonic acid...)
Show SMILES CCCCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H33NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14(22(16,17)18)23(19,20)21/h14-15H,2-13H2,1H3,(H2,16,17,18)(H2,19,20,21)
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PubMed
n/an/a 3.18E+3n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341910
PNG
(1-[(Benzylamino)ethyl]1,1-bisphosphonic acid | CHE...)
Show SMILES OP(O)(=O)C(CNCc1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C9H15NO6P2/c11-17(12,13)9(18(14,15)16)7-10-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H2,11,12,13)(H2,14,15,16)
UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair
Solanesyl diphosphate synthase


(Trypanosoma cruzi)
BDBM50341912
PNG
(1-[(n-Dec-1-ylamino)ethyl]1,1-bisphosphonic acid |...)
Show SMILES CCCCCCCCCCNCC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C12H29NO6P2/c1-2-3-4-5-6-7-8-9-10-13-11-12(20(14,15)16)21(17,18)19/h12-13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universidad de Buenos Aires

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi SPPS after 30 mins using [14C]IPP by scintillation counting


Bioorg Med Chem 19: 2211-7 (2011)


Article DOI: 10.1016/j.bmc.2011.02.037
BindingDB Entry DOI: 10.7270/Q2R211QB
More data for this
Ligand-Target Pair