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Compile Data Set for Download or QSAR

Found 13 hits of kd data for polymerid = 9407   
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
Ezrin


(Homo sapiens (Human))		BDBM50445461
PNG
(CHEMBL3104731)
Show SMILES Cc1cc(CC=Nc2cc(O)c3cccnc3c2O)cc(C)c1O |w:6.6|
Show InChI InChI=1S/C19H18N2O3/c1-11-8-13(9-12(2)18(11)23)5-7-20-15-10-16(22)14-4-3-6-21-17(14)19(15)24/h3-4,6-10,22-24H,5H2,1-2H3
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n/an/an/a 5.00E+3n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445466
PNG
(CHEMBL3104724)
Show SMILES Oc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1 |w:7.7|
Show InChI InChI=1S/C17H14N2O3/c20-12-5-3-11(4-6-12)7-9-18-14-10-15(21)13-2-1-8-19-16(13)17(14)22/h1-6,8-10,20-22H,7H2
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n/an/an/a 6.90E+3n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445468
PNG
(CHEMBL3104722)
Show SMILES COc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1Cl |w:8.8|
Show InChI InChI=1S/C18H15ClN2O3/c1-24-16-5-4-11(9-13(16)19)6-8-20-14-10-15(22)12-3-2-7-21-17(12)18(14)23/h2-5,7-10,22-23H,6H2,1H3
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n/an/an/a 7.00E+3n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445465
PNG
(CHEMBL3104725)
Show SMILES Oc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1O |w:7.7|
Show InChI InChI=1S/C17H14N2O4/c20-13-4-3-10(8-15(13)22)5-7-18-12-9-14(21)11-2-1-6-19-16(11)17(12)23/h1-4,6-9,20-23H,5H2
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n/an/an/a 7.90E+3n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445463
PNG
(CHEMBL3104729)
Show SMILES Oc1cc(N=CCc2cc(Cl)c(O)c(Cl)c2)c(O)c2ncccc12 |w:4.3|
Show InChI InChI=1S/C17H12Cl2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2
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n/an/an/a 8.00E+3n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445469
PNG
(CHEMBL3104721)
Show SMILES Oc1cc(N=CCc2cccc(Br)c2)c(O)c2ncccc12 |w:4.3|
Show InChI InChI=1S/C17H13BrN2O2/c18-12-4-1-3-11(9-12)6-8-19-14-10-15(21)13-5-2-7-20-16(13)17(14)22/h1-5,7-10,21-22H,6H2
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n/an/an/a 9.10E+3n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50106508
PNG
(7-[2-(3,5-Dibromo-4-hydroxy-phenyl)-ethylamino]-qu...)
Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12 |w:5.5|
Show InChI InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2
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n/an/an/a 1.06E+4n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM223224
PNG
(Disorazole A)
Show SMILES CO[C@@H]1Cc2nc(co2)C(=O)O[C@@H](CCC[C@H]2O[C@H]2CC[C@@H]2O[C@@H]2c2nc(co2)C(=O)O[C@@H](C\C=C/C(/C)=C\C=C\1)C(C)(C)[C@@H](O)\C=C\C)C(C)(C)[C@@H](O)\C=C\C |r,c:38,41,t:43|
Show InChI InChI=1S/C44H60N2O11/c1-9-14-34(47)43(4,5)36-20-12-17-27(3)16-11-18-28(51-8)24-38-45-29(25-52-38)41(49)56-37(44(6,7)35(48)15-10-2)21-13-19-31-32(54-31)22-23-33-39(55-33)40-46-30(26-53-40)42(50)57-36/h9-12,14-18,25-26,28,31-37,39,47-48H,13,19-24H2,1-8H3/b14-9+,15-10+,17-12-,18-11+,27-16-/t28-,31+,32-,33-,34-,35-,36-,37-,39-/m0/s1
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n/an/an/a 2.20E+4n/an/an/a5.525



Saarland University; Helmholtz Centre for Infection Research (HZI); German Centre for Infection Research (DZIF)



Assay Description
Recombinant ezrin (Hypermol) was diluted to 70 mg/mL in sodium acetate buffer (pH 5.5, 10 mM) immobilized for 350 s on a CM5 Sensor Chip (Biacore) by...

Cell Chem Biol 24: 159-170 (2017)


Article DOI: 10.1016/j.chembiol.2016.12.011
BindingDB Entry DOI: 10.7270/Q20V8BNX
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445464
PNG
(CHEMBL3104728)
Show SMILES Oc1cc(N=CCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c(O)c2ncccc12 |w:4.3|
Show InChI InChI=1S/C31H26N2O4/c34-27-19-26(31(35)30-25(27)12-7-16-33-30)32-17-15-22-13-14-28(36-20-23-8-3-1-4-9-23)29(18-22)37-21-24-10-5-2-6-11-24/h1-14,16-19,34-35H,15,20-21H2
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n/an/an/a 2.53E+4n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445467
PNG
(CHEMBL3104723)
Show SMILES COc1ccc(CC=Nc2cc(O)c3cccnc3c2O)cc1Br |w:8.8|
Show InChI InChI=1S/C18H15BrN2O3/c1-24-16-5-4-11(9-13(16)19)6-8-20-14-10-15(22)12-3-2-7-21-17(12)18(14)23/h2-5,7-10,22-23H,6H2,1H3
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n/an/an/a 2.74E+4n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445470
PNG
(CHEMBL3104716)
Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2cnccc12 |w:4.3|
Show InChI InChI=1S/C17H12Br2N2O3/c18-12-5-9(6-13(19)17(12)24)1-4-21-14-7-15(22)10-2-3-20-8-11(10)16(14)23/h2-8,22-24H,1H2
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n/an/an/a 4.01E+4n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM50445462
PNG
(CHEMBL3104730)
Show SMILES Oc1cc(N=CCc2cc(F)c(O)c(F)c2)c(O)c2ncccc12 |w:4.3|
Show InChI InChI=1S/C17H12F2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2
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n/an/an/a 4.99E+4n/an/an/an/an/a



George Mason University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry

Bioorg Med Chem 22: 478-87 (2013)


Article DOI: 10.1016/j.bmc.2013.11.003
BindingDB Entry DOI: 10.7270/Q21Z45WT
More data for this
Ligand-Target Pair
Ezrin


(Homo sapiens (Human))		BDBM223225
PNG
(Disorazole Z)
Show SMILES COC(=O)C(C)([C@@H](O)\C=C\C)[C@@H]1C\C=C/C=C/C=C/c2nc(co2)C(=O)O[C@@H](C\C=C/C=C/C=C/c2nc(co2)C(=O)O1)C(C)([C@@H](O)\C=C\C)C(=O)OC |r,c:13,30,t:15,17,32,34|
Show InChI InChI=1S/C40H46N2O12/c1-7-19-29(43)39(3,37(47)49-5)31-21-15-11-9-13-17-24-34-42-28(26-52-34)36(46)54-32(40(4,38(48)50-6)30(44)20-8-2)22-16-12-10-14-18-23-33-41-27(25-51-33)35(45)53-31/h7-20,23-26,29-32,43-44H,21-22H2,1-6H3/b13-9+,14-10+,15-11-,16-12-,19-7+,20-8+,23-18+,24-17+/t29-,30-,31-,32-,39?,40?/m0/s1
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n/an/an/a 7.49E+4n/an/an/a5.525



Saarland University; Helmholtz Centre for Infection Research (HZI); German Centre for Infection Research (DZIF)



Assay Description
Recombinant ezrin (Hypermol) was diluted to 70 mg/mL in sodium acetate buffer (pH 5.5, 10 mM) immobilized for 350 s on a CM5 Sensor Chip (Biacore) by...

Cell Chem Biol 24: 159-170 (2017)


Article DOI: 10.1016/j.chembiol.2016.12.011
BindingDB Entry DOI: 10.7270/Q20V8BNX
More data for this
Ligand-Target Pair