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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'bulut' and Initial = 'g'   
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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50291668
PNG
(CHEMBL4160691)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)CC)C(O)=O |r|
Show InChI InChI=1S/C46H73N13O11/c1-7-25(5)36(43(67)55-33(20-28-21-50-23-52-28)44(68)59-18-10-12-34(59)41(65)58-37(45(69)70)26(6)8-2)57-40(64)32(19-27-13-15-29(61)16-14-27)54-42(66)35(24(3)4)56-39(63)31(11-9-17-51-46(48)49)53-38(62)30(47)22-60/h13-16,21,23-26,30-37,60-61H,7-12,17-20,22,47H2,1-6H3,(H,50,52)(H,53,62)(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,65)(H,69,70)(H4,48,49,51)/t25-,26-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Bahcesehir University (BAU)

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...


Eur J Med Chem 145: 273-290 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.021
BindingDB Entry DOI: 10.7270/Q2639S81
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50049186
PNG
((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
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3n/an/an/an/an/an/an/an/a



Bahcesehir University (BAU)

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...


Eur J Med Chem 145: 273-290 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.021
BindingDB Entry DOI: 10.7270/Q2639S81
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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10n/an/an/an/an/an/an/an/a



Bahcesehir University (BAU)

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...


Eur J Med Chem 145: 273-290 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.021
BindingDB Entry DOI: 10.7270/Q2639S81
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50291670
PNG
(CHEMBL4175147)
Show SMILES CCCCC1=N\C(=C/c2ccccc2Br)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1 |t:4|
Show InChI InChI=1S/C47H39BrN6O/c1-2-3-27-44-49-43(32-36-17-13-16-26-42(36)48)46(55)53(44)33-34-28-30-35(31-29-34)40-24-14-15-25-41(40)45-50-52-54(51-45)47(37-18-7-4-8-19-37,38-20-9-5-10-21-38)39-22-11-6-12-23-39/h4-26,28-32H,2-3,27,33H2,1H3/b43-32-
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317n/an/an/an/an/an/an/an/a



Bahcesehir University (BAU)

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...


Eur J Med Chem 145: 273-290 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.021
BindingDB Entry DOI: 10.7270/Q2639S81
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50291669
PNG
(CHEMBL4164514)
Show SMILES CCCCC1=N\C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C#N |t:4|
Show InChI InChI=1S/C28H24BrN3O/c1-2-3-8-27-31-26(17-20-11-15-24(29)16-12-20)28(33)32(27)19-21-9-13-22(14-10-21)25-7-5-4-6-23(25)18-30/h4-7,9-17H,2-3,8,19H2,1H3/b26-17-
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2.48E+4n/an/an/an/an/an/an/an/a



Bahcesehir University (BAU)

Curated by ChEMBL


Assay Description
Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys...


Eur J Med Chem 145: 273-290 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.021
BindingDB Entry DOI: 10.7270/Q2639S81
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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