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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for UniProtKB: P60932   
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
Undecaprenyl-diphosphatase


(Escherichia coli (strain K12))
BDBM50458054
PNG
(Albac 50 | Baci-Rx | Baciferm 50 | Baciguent | Bac...)
Show SMILES [H][C@]1(NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC1=O)NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC(=N1)[C@@H](N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC |r,c:88|
Show InChI InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UPPP expressed in Escherichia coli C41(DE3) using FPP as substrate preincubated for 15 mins followed by substrate addi...


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
Undecaprenyl-diphosphatase


(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 8.10E+3n/an/an/an/an/an/a



Al-Azhar University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli UPPP expressed in Escherichia coli C41(DE3) using FPP as substrate preincubated for 15 mins followed by substrate addi...


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