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PubMed code 18947999

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Glycophorin-A


(Homo sapiens (Human))		BDBM50246050
PNG
((2R,3S,5R,6S)-5-(benzyloxy)-6-(benzyloxymethyl)-2-...)
Show SMILES OC[C@H]1O[C@@H](COCc2ccccc2)[C@@H](C[C@@H]1O)OCc1ccccc1 |r|
Show InChI InChI=1S/C21H26O5/c22-12-20-18(23)11-19(25-14-17-9-5-2-6-10-17)21(26-20)15-24-13-16-7-3-1-4-8-16/h1-10,18-23H,11-15H2/t18-,19+,20+,21-/m0/s1
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n/an/an/a 2.40E+6n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to transmembrane alpha-helix of glycophorin A by surface plasmon resonance method

Bioorg Med Chem Lett 18: 6115-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.020
BindingDB Entry DOI: 10.7270/Q2P55PFJ
More data for this
Ligand-Target Pair
Glycophorin-A


(Homo sapiens (Human))		BDBM50310365
PNG
(CHEMBL1077121 | desulfated yessotoxin)
Show SMILES C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](O)[C@@](C)(CCO)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=C)C[C@@H]5O[C@]4(C)C[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r|
Show InChI InChI=1S/C55H82O14/c1-10-11-29(2)12-15-51(5,58)50-31(4)20-41-40(66-50)26-46-55(9,68-41)28-44-38(63-46)24-43-49(65-44)30(3)13-16-53(7)48(64-43)27-47-54(8,69-53)17-14-32-33(62-47)21-35-34(59-32)22-36-37(60-35)23-42-39(61-36)25-45(57)52(6,67-42)18-19-56/h10,12,15,30,32-50,56-58H,1-2,4,11,13-14,16-28H2,3,5-9H3/b15-12+/t30-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48+,49+,50-,51+,52+,53-,54+,55+/m0/s1
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n/an/an/a 2.70E+5n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to transmembrane alpha-helix of glycophorin A by surface plasmon resonance method

Bioorg Med Chem Lett 18: 6115-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.020
BindingDB Entry DOI: 10.7270/Q2P55PFJ
More data for this
Ligand-Target Pair
Glycophorin-A


(Homo sapiens (Human))		BDBM50310364
PNG
(CHEMBL1077126 | YESSOTOXIN)
Show SMILES C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](OS([O-])(=O)=O)[C@@](C)(CCOS([O-])(=O)=O)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=C)C[C@@H]5O[C@]4(C)C[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r|
Show InChI InChI=1S/C55H82O20S2/c1-10-11-29(2)12-15-51(5,56)50-31(4)20-41-40(71-50)25-45-55(9,73-41)28-44-38(68-45)24-43-49(70-44)30(3)13-16-53(7)47(69-43)27-46-54(8,75-53)17-14-32-33(67-46)21-35-34(64-32)22-36-37(65-35)23-42-39(66-36)26-48(74-77(60,61)62)52(6,72-42)18-19-63-76(57,58)59/h10,12,15,30,32-50,56H,1-2,4,11,13-14,16-28H2,3,5-9H3,(H,57,58,59)(H,60,61,62)/p-2/b15-12+/t30-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51+,52+,53-,54+,55+/m0/s1
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n/an/an/a 1.20E+5n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to transmembrane alpha-helix of glycophorin A by surface plasmon resonance method

Bioorg Med Chem Lett 18: 6115-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.020
BindingDB Entry DOI: 10.7270/Q2P55PFJ
More data for this
Ligand-Target Pair
Glycophorin-A


(Homo sapiens (Human))		BDBM50246052
PNG
((1S,3R,5S,7R,9S,10R,12S,14R,17S,19R,21S,23R,25S,26...)
Show SMILES C[C@@]12CC[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@H](O)[C@@H](CO)O[C@H]6CC[C@@]5(C)O[C@H]4C[C@H]3O[C@H]1C[C@H]1O[C@@H](CCOCc3ccccc3)[C@@H](C[C@@H]1O2)OCc1ccccc1 |r|
Show InChI InChI=1S/C44H60O11/c1-43-16-13-30-34(19-29(46)40(24-45)51-30)52-41(43)23-37-39(55-43)21-35-31(49-37)14-17-44(2)42(53-35)22-36-38(54-44)20-33(48-26-28-11-7-4-8-12-28)32(50-36)15-18-47-25-27-9-5-3-6-10-27/h3-12,29-42,45-46H,13-26H2,1-2H3/t29-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40+,41-,42-,43+,44+/m0/s1
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n/an/an/a 4.80E+4n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to transmembrane alpha-helix of glycophorin A by surface plasmon resonance method

Bioorg Med Chem Lett 18: 6115-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.020
BindingDB Entry DOI: 10.7270/Q2P55PFJ
More data for this
Ligand-Target Pair
Glycophorin-A


(Homo sapiens (Human))		BDBM50246051
PNG
((2R,3S,4aR,5aS,6aR,8S,9R,10aS,11aR,13aS)-9-Benzylo...)
Show SMILES C[C@@]12CC[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@@H](COCc3ccccc3)[C@@H](C[C@@H]1O2)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H42O8/c1-32-13-12-24-26(14-23(34)29(17-33)37-24)39-31(32)16-27-28(40-32)15-25(36-19-22-10-6-3-7-11-22)30(38-27)20-35-18-21-8-4-2-5-9-21/h2-11,23-31,33-34H,12-20H2,1H3/t23-,24-,25+,26+,27+,28-,29+,30-,31-,32+/m0/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/an/a 2.40E+5n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to transmembrane alpha-helix of glycophorin A by surface plasmon resonance method

Bioorg Med Chem Lett 18: 6115-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.020
BindingDB Entry DOI: 10.7270/Q2P55PFJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%