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Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 50006153   
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


(Leishmania major)
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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Article
PubMed
10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127577
BindingDB Entry DOI: 10.7270/Q2Z60SPV
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Leishmania major)
BDBM50098390
PNG
((3-methylpyridin-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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11n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major FPPS


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Leishmania major)
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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Article
PubMed
16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127577
BindingDB Entry DOI: 10.7270/Q2Z60SPV
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Leishmania major)
BDBM50553950
PNG
(CHEMBL4782875)
Show SMILES CCCCCCCCCNC(O)(P(O)(O)=O)P(O)(O)=O
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
86n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127577
BindingDB Entry DOI: 10.7270/Q2Z60SPV
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Leishmania major)
BDBM25313
PNG
((4-amino-1-hydroxy-1-phosphonobutyl)phosphonic aci...)
Show SMILES NCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
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Article
PubMed
91n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127577
BindingDB Entry DOI: 10.7270/Q2Z60SPV
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Leishmania major)
BDBM50113286
PNG
((1-Hydroxy-1-phosphono-undecyl)-phosphonic acid | ...)
Show SMILES CCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C11H26O7P2/c1-2-3-4-5-6-7-8-9-10-11(12,19(13,14)15)20(16,17)18/h12H,2-10H2,1H3,(H2,13,14,15)(H2,16,17,18)
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UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
330n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127577
BindingDB Entry DOI: 10.7270/Q2Z60SPV
More data for this
Ligand-Target Pair