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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: G1C7A4   
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
Penicillin-binding protein 1B


(Acinetobacter baumannii)
BDBM50458507
PNG
(CHEMBL4203272)
Show SMILES CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCN(Cc2ccc(cc2)-c2ccccc2)Cc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1 |r|
Show InChI InChI=1S/C49H65N4O6P/c1-3-5-6-7-8-9-10-11-12-19-34-53-38-47(50-51-53)39-58-48(49(54)57-4-2)40-60(55,56)59-35-20-33-52(36-41-25-29-45(30-26-41)43-21-15-13-16-22-43)37-42-27-31-46(32-28-42)44-23-17-14-18-24-44/h13-18,21-32,38,48H,3-12,19-20,33-37,39-40H2,1-2H3,(H,55,56)/t48-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter baumannii PBP1b transglycosylase activity using NBD-lipid 2 as substrate after 2 hrs by muramidase enzyme coupled HPLC an...


Eur J Med Chem 150: 729-741 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.034
BindingDB Entry DOI: 10.7270/Q27M0BJ9
More data for this
Ligand-Target Pair
Penicillin-binding protein 1B


(Acinetobacter baumannii)
BDBM50458508
PNG
(CHEMBL4211545)
Show SMILES CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCN(C)Cc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1 |r|
Show InChI InChI=1S/C37H57N4O6P/c1-4-6-7-8-9-10-11-12-13-17-26-41-29-35(38-39-41)30-46-36(37(42)45-5-2)31-48(43,44)47-27-18-25-40(3)28-32-21-23-34(24-22-32)33-19-15-14-16-20-33/h14-16,19-24,29,36H,4-13,17-18,25-28,30-31H2,1-3H3,(H,43,44)/t36-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.53E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter baumannii PBP1b transglycosylase activity using NBD-lipid 2 as substrate after 2 hrs by muramidase enzyme coupled HPLC an...


Eur J Med Chem 150: 729-741 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.034
BindingDB Entry DOI: 10.7270/Q27M0BJ9
More data for this
Ligand-Target Pair
Penicillin-binding protein 1B


(Acinetobacter baumannii)
BDBM50458509
PNG
(CHEMBL4208140)
Show SMILES CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCNCc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1 |r|
Show InChI InChI=1S/C35H53N4O6P/c1-3-5-6-7-8-9-10-11-12-16-24-39-27-33(37-38-39)28-44-34(35(40)43-4-2)29-46(41,42)45-25-23-36-26-30-19-21-32(22-20-30)31-17-14-13-15-18-31/h13-15,17-22,27,34,36H,3-12,16,23-26,28-29H2,1-2H3,(H,41,42)/t34-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.57E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter baumannii PBP1b transglycosylase activity using NBD-lipid 2 as substrate after 2 hrs by muramidase enzyme coupled HPLC an...


Eur J Med Chem 150: 729-741 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.034
BindingDB Entry DOI: 10.7270/Q27M0BJ9
More data for this
Ligand-Target Pair
Penicillin-binding protein 1B


(Acinetobacter baumannii)
BDBM50458510
PNG
(CHEMBL4211590)
Show SMILES CCCCCCCCCCCCn1cc(CO[C@H](CP(O)(=O)OCCCNCc2ccc(cc2)-c2ccccc2)C(=O)OCC)nn1 |r|
Show InChI InChI=1S/C36H55N4O6P/c1-3-5-6-7-8-9-10-11-12-16-25-40-28-34(38-39-40)29-45-35(36(41)44-4-2)30-47(42,43)46-26-17-24-37-27-31-20-22-33(23-21-31)32-18-14-13-15-19-32/h13-15,18-23,28,35,37H,3-12,16-17,24-27,29-30H2,1-2H3,(H,42,43)/t35-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.32E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter baumannii PBP1b transglycosylase activity using NBD-lipid 2 as substrate after 2 hrs by muramidase enzyme coupled HPLC an...


Eur J Med Chem 150: 729-741 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.034
BindingDB Entry DOI: 10.7270/Q27M0BJ9
More data for this
Ligand-Target Pair