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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P0ABZ6   
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
Chaperone SurA


(Escherichia coli (strain K12))
BDBM50467858
PNG
(CHEMBL4282968)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C45H61N9O12/c1-5-24(4)38(44(64)54-18-8-11-34(54)43(63)51-33(21-35(47)56)42(62)52-37(23(2)3)45(65)66)53-41(61)32(19-25-12-14-27(55)15-13-25)50-40(60)31(16-17-36(57)58)49-39(59)29(46)20-26-22-48-30-10-7-6-9-28(26)30/h6-7,9-10,12-15,22-24,29,31-34,37-38,48,55H,5,8,11,16-21,46H2,1-4H3,(H2,47,56)(H,49,59)(H,50,60)(H,51,63)(H,52,62)(H,53,61)(H,57,58)(H,65,66)/t24-,29-,31-,32-,33-,34-,37-,38-/m0/s1
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n/an/a 2.66E+3n/an/an/an/an/an/a



Oberlin College

Curated by ChEMBL


Assay Description
Inhibition of rhodamine-WEYIPNV binding to Escherichia coli SurA by fluorescence anisotropy


Bioorg Med Chem Lett 28: 3540-3548 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.034
BindingDB Entry DOI: 10.7270/Q2QC0663
More data for this
Ligand-Target Pair
Chaperone SurA


(Escherichia coli (strain K12))
BDBM50043810
PNG
((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)/t24-/m0/s1
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Article
PubMed
n/an/a 2.33E+4n/an/an/an/an/an/a



Oberlin College

Curated by ChEMBL


Assay Description
Inhibition of rhodamine-WEYIPNV binding to Escherichia coli SurA by fluorescence anisotropy


Bioorg Med Chem Lett 28: 3540-3548 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.034
BindingDB Entry DOI: 10.7270/Q2QC0663
More data for this
Ligand-Target Pair
Chaperone SurA


(Escherichia coli (strain K12))
BDBM50467856
PNG
(CHEMBL4285388)
Show SMILES OC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C27H22N2O4/c30-26(31)25(15-18-14-13-17-7-1-6-12-24(17)28-18)29-27(32)33-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m1/s1
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n/an/a 3.74E+4n/an/an/an/an/an/a



Oberlin College

Curated by ChEMBL


Assay Description
Inhibition of rhodamine-WEYIPNV binding to Escherichia coli SurA in presence of 0.01% Triton-X-100 by fluorescence anisotropy


Bioorg Med Chem Lett 28: 3540-3548 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.034
BindingDB Entry DOI: 10.7270/Q2QC0663
More data for this
Ligand-Target Pair
Chaperone SurA


(Escherichia coli (strain K12))
BDBM50467856
PNG
(CHEMBL4285388)
Show SMILES OC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C27H22N2O4/c30-26(31)25(15-18-14-13-17-7-1-6-12-24(17)28-18)29-27(32)33-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m1/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



Oberlin College

Curated by ChEMBL


Assay Description
Inhibition of rhodamine-WEYIPNV binding to Escherichia coli SurA by fluorescence anisotropy


Bioorg Med Chem Lett 28: 3540-3548 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.034
BindingDB Entry DOI: 10.7270/Q2QC0663
More data for this
Ligand-Target Pair
Chaperone SurA


(Escherichia coli (strain K12))
BDBM50467857
PNG
(CHEMBL357583)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1
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n/an/a 1.52E+5n/an/an/an/an/an/a



Oberlin College

Curated by ChEMBL


Assay Description
Inhibition of rhodamine-WEYIPNV binding to Escherichia coli SurA by fluorescence anisotropy


Bioorg Med Chem Lett 28: 3540-3548 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.034
BindingDB Entry DOI: 10.7270/Q2QC0663
More data for this
Ligand-Target Pair