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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Farnesyl pyrophosphate synthase' and Ligand = 'BDBM50531224'   
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 pyrophosphate synthase


(Homo sapiens (Human))
BDBM50531224
PNG
(CHEMBL4440615)
Show SMILES [H][C@@]12CC(OC)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)C(=O)OC |r,c:12,t:6|
Show InChI InChI=1S/C22H30O5/c1-12(2)13-10-14-15(26-5)11-16-21(3,4)8-7-9-22(16,20(25)27-6)17(14)19(24)18(13)23/h10,12,15-16H,7-9,11H2,1-6H3/t15?,16-,22+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 234n/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...


J Med Chem 62: 10867-10896 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01405
BindingDB Entry DOI: 10.7270/Q2Z03CNH
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Homo sapiens (Human))
BDBM50531224
PNG
(CHEMBL4440615)
Show SMILES [H][C@@]12CC(OC)C3=C(C(=O)C(=O)C(=C3)C(C)C)[C@]1(CCCC2(C)C)C(=O)OC |r,c:12,t:6|
Show InChI InChI=1S/C22H30O5/c1-12(2)13-10-14-15(26-5)11-16-21(3,4)8-7-9-22(16,20(25)27-6)17(14)19(24)18(13)23/h10,12,15-16H,7-9,11H2,1-6H3/t15?,16-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 234n/an/an/an/an/an/a



Tsinghua University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substr...


J Med Chem 62: 10867-10896 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01405
BindingDB Entry DOI: 10.7270/Q2Z03CNH
More data for this
Ligand-Target Pair