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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'erol' and Initial = 'i'   
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