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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P60472   
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
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Escherichia coli (strain K12))
BDBM50601419
PNG
(CHEMBL5182237)
Show SMILES OC(Cc1cccc(c1)-c1cccc2oc3ccccc3c12)(P(O)(O)=O)P(O)(O)=O
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01292
BindingDB Entry DOI: 10.7270/Q2Z60T43
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Escherichia coli (strain K12))
BDBM50458053
PNG
(CHEMBL4214440)
Show SMILES C\C(=N/NC(N)=N)c1sc(nc1C)-c1ccc(cc1)C#CC1CC1
Show InChI InChI=1S/C18H19N5S/c1-11-16(12(2)22-23-18(19)20)24-17(21-11)15-9-7-14(8-10-15)6-5-13-3-4-13/h7-10,13H,3-4H2,1-2H3,(H4,19,20,23)/b22-12+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UPPS using IPP and FPP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by ...


Eur J Med Chem 148: 195-209 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.031
BindingDB Entry DOI: 10.7270/Q2RR21VD
More data for this
Ligand-Target Pair
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)


(Escherichia coli (strain K12))
BDBM25271
PNG
(3-[(3,7-dimethyloctyl)oxy]-1-(2-hydrogen phosphona...)
Show SMILES CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H31NO7P2/c1-14(2)6-4-7-15(3)9-11-25-16-8-5-10-18(12-16)13-17(26(19,20)21)27(22,23)24/h5,8,10,12,14-15,17H,4,6-7,9,11,13H2,1-3H3,(H3-,19,20,21,22,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UPPS in presence of IPP and FPP


J Med Chem 62: 2564-2581 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01878
BindingDB Entry DOI: 10.7270/Q2S75KV9
More data for this
Ligand-Target Pair