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Compile Data Set for Download or QSAR

Found 4497 hits Enz. Inhib. hit(s) with Target = 'Angiotensin II receptor'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50236697
PNG
(5-L-isoleucineangiotensin II | 5-isoleucine-angiot...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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n/an/an/an/a 0.490n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50236697
PNG
(5-L-isoleucineangiotensin II | 5-isoleucine-angiot...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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n/an/an/an/a 0.520n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159153
PNG
(CHEMBL3787243)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCNC(=O)CC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C58H85N15O14.3C2HF3O2/c1-6-34(5)48(54(83)68-42(29-37-31-61-32-65-37)55(84)73-26-14-18-44(73)52(81)69-43(56(85)86)28-35-15-9-8-10-16-35)71-51(80)41(27-36-19-21-38(74)22-20-36)67-53(82)47(33(3)4)70-50(79)40(66-49(78)39(59)30-46(76)77)17-13-25-63-57(60)72-58(87)64-24-12-11-23-62-45(75)7-2;3*3-2(4,5)1(6)7/h8-10,15-16,19-22,31-34,39-44,47-48,74H,6-7,11-14,17-18,23-30,59H2,1-5H3,(H,61,65)(H,62,75)(H,66,78)(H,67,82)(H,68,83)(H,69,81)(H,70,79)(H,71,80)(H,76,77)(H,85,86)(H4,60,63,64,72,87);3*(H,6,7)/t34-,39-,40-,41-,42-,43-,44-,47-,48-;;;/m0.../s1
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n/an/an/an/a 1.10n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159153
PNG
(CHEMBL3787243)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCNC(=O)CC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C58H85N15O14.3C2HF3O2/c1-6-34(5)48(54(83)68-42(29-37-31-61-32-65-37)55(84)73-26-14-18-44(73)52(81)69-43(56(85)86)28-35-15-9-8-10-16-35)71-51(80)41(27-36-19-21-38(74)22-20-36)67-53(82)47(33(3)4)70-50(79)40(66-49(78)39(59)30-46(76)77)17-13-25-63-57(60)72-58(87)64-24-12-11-23-62-45(75)7-2;3*3-2(4,5)1(6)7/h8-10,15-16,19-22,31-34,39-44,47-48,74H,6-7,11-14,17-18,23-30,59H2,1-5H3,(H,61,65)(H,62,75)(H,66,78)(H,67,82)(H,68,83)(H,69,81)(H,70,79)(H,71,80)(H,76,77)(H,85,86)(H4,60,63,64,72,87);3*(H,6,7)/t34-,39-,40-,41-,42-,43-,44-,47-,48-;;;/m0.../s1
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n/an/an/an/a 1.10n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159151
PNG
(CHEMBL3786145)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCN)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C55H81N15O13.4C2HF3O2/c1-5-32(4)45(51(79)65-40(27-35-29-59-30-62-35)52(80)70-24-12-16-42(70)49(77)66-41(53(81)82)26-33-13-7-6-8-14-33)68-48(76)39(25-34-17-19-36(71)20-18-34)64-50(78)44(31(2)3)67-47(75)38(63-46(74)37(57)28-43(72)73)15-11-23-60-54(58)69-55(83)61-22-10-9-21-56;4*3-2(4,5)1(6)7/h6-8,13-14,17-20,29-32,37-42,44-45,71H,5,9-12,15-16,21-28,56-57H2,1-4H3,(H,59,62)(H,63,74)(H,64,78)(H,65,79)(H,66,77)(H,67,75)(H,68,76)(H,72,73)(H,81,82)(H4,58,60,61,69,83);4*(H,6,7)/t32-,37-,38-,39-,40-,41-,42-,44-,45-;;;;/m0..../s1
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n/an/an/an/a 1.40n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159151
PNG
(CHEMBL3786145)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCCCN)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C55H81N15O13.4C2HF3O2/c1-5-32(4)45(51(79)65-40(27-35-29-59-30-62-35)52(80)70-24-12-16-42(70)49(77)66-41(53(81)82)26-33-13-7-6-8-14-33)68-48(76)39(25-34-17-19-36(71)20-18-34)64-50(78)44(31(2)3)67-47(75)38(63-46(74)37(57)28-43(72)73)15-11-23-60-54(58)69-55(83)61-22-10-9-21-56;4*3-2(4,5)1(6)7/h6-8,13-14,17-20,29-32,37-42,44-45,71H,5,9-12,15-16,21-28,56-57H2,1-4H3,(H,59,62)(H,63,74)(H,64,78)(H,65,79)(H,66,77)(H,67,75)(H,68,76)(H,72,73)(H,81,82)(H4,58,60,61,69,83);4*(H,6,7)/t32-,37-,38-,39-,40-,41-,42-,44-,45-;;;;/m0..../s1
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n/an/an/an/a 1.40n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159152
PNG
(CHEMBL3786986)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C57H85N15O15.4C2HF3O2/c1-5-34(4)47(53(81)67-42(29-37-31-61-32-64-37)54(82)72-22-10-14-44(72)51(79)68-43(55(83)84)28-35-11-7-6-8-12-35)70-50(78)41(27-36-15-17-38(73)18-16-36)66-52(80)46(33(2)3)69-49(77)40(65-48(76)39(59)30-45(74)75)13-9-20-62-56(60)71-57(85)63-21-24-87-26-25-86-23-19-58;4*3-2(4,5)1(6)7/h6-8,11-12,15-18,31-34,39-44,46-47,73H,5,9-10,13-14,19-30,58-59H2,1-4H3,(H,61,64)(H,65,76)(H,66,80)(H,67,81)(H,68,79)(H,69,77)(H,70,78)(H,74,75)(H,83,84)(H4,60,62,63,71,85);4*(H,6,7)/t34-,39-,40-,41-,42-,43-,44-,46-,47-;;;;/m0..../s1
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n/an/an/an/a 2n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159152
PNG
(CHEMBL3786986)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C57H85N15O15.4C2HF3O2/c1-5-34(4)47(53(81)67-42(29-37-31-61-32-64-37)54(82)72-22-10-14-44(72)51(79)68-43(55(83)84)28-35-11-7-6-8-12-35)70-50(78)41(27-36-15-17-38(73)18-16-36)66-52(80)46(33(2)3)69-49(77)40(65-48(76)39(59)30-45(74)75)13-9-20-62-56(60)71-57(85)63-21-24-87-26-25-86-23-19-58;4*3-2(4,5)1(6)7/h6-8,11-12,15-18,31-34,39-44,46-47,73H,5,9-10,13-14,19-30,58-59H2,1-4H3,(H,61,64)(H,65,76)(H,66,80)(H,67,81)(H,68,79)(H,69,77)(H,70,78)(H,74,75)(H,83,84)(H4,60,62,63,71,85);4*(H,6,7)/t34-,39-,40-,41-,42-,43-,44-,46-,47-;;;;/m0..../s1
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n/an/an/an/a 2.10n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159154
PNG
(CHEMBL3787379)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCOCCOCCNC(=O)CC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H89N15O16.3C2HF3O2/c1-6-36(5)50(56(85)70-44(31-39-33-63-34-67-39)57(86)75-24-12-16-46(75)54(83)71-45(58(87)88)30-37-13-9-8-10-14-37)73-53(82)43(29-38-17-19-40(76)20-18-38)69-55(84)49(35(3)4)72-52(81)42(68-51(80)41(61)32-48(78)79)15-11-21-65-59(62)74-60(89)66-23-26-91-28-27-90-25-22-64-47(77)7-2;3*3-2(4,5)1(6)7/h8-10,13-14,17-20,33-36,41-46,49-50,76H,6-7,11-12,15-16,21-32,61H2,1-5H3,(H,63,67)(H,64,77)(H,68,80)(H,69,84)(H,70,85)(H,71,83)(H,72,81)(H,73,82)(H,78,79)(H,87,88)(H4,62,65,66,74,89);3*(H,6,7)/t36-,41-,42-,43-,44-,45-,46-,49-,50-;;;/m0.../s1
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n/an/an/an/a 2.30n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50159154
PNG
(CHEMBL3787379)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN\C(N)=N\C(=O)NCCOCCOCCNC(=O)CC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H89N15O16.3C2HF3O2/c1-6-36(5)50(56(85)70-44(31-39-33-63-34-67-39)57(86)75-24-12-16-46(75)54(83)71-45(58(87)88)30-37-13-9-8-10-14-37)73-53(82)43(29-38-17-19-40(76)20-18-38)69-55(84)49(35(3)4)72-52(81)42(68-51(80)41(61)32-48(78)79)15-11-21-65-59(62)74-60(89)66-23-26-91-28-27-90-25-22-64-47(77)7-2;3*3-2(4,5)1(6)7/h8-10,13-14,17-20,33-36,41-46,49-50,76H,6-7,11-12,15-16,21-32,61H2,1-5H3,(H,63,67)(H,64,77)(H,68,80)(H,69,84)(H,70,85)(H,71,83)(H,72,81)(H,73,82)(H,78,79)(H,87,88)(H4,62,65,66,74,89);3*(H,6,7)/t36-,41-,42-,43-,44-,45-,46-,49-,50-;;;/m0.../s1
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n/an/an/an/a 2.40n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human AT1 receptor transfected in CHO cells co-expressing Galpha16-mtAEQ assessed as induction of intracellular Ca2+ mobilization...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50028423
PNG
(CHEMBL3355127)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F
Show InChI InChI=1S/C24H27FN4O2/c1-14-12-28(3)9-8-16(14)18-10-21-22(11-19(18)17-6-4-5-7-20(17)25)31-13-23-26-27-24(30)15(2)29(21)23/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3,(H,27,30)/t14-,15+,16+/m0/s1
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n/an/an/an/a 5.10E+3n/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Agonist activity at AT1 receptor (unknown origin)


J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50028420
PNG
(CHEMBL3355137)
Show SMILES C[C@H]1CN(C)CC[C@H]1c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccc(C)cc1F
Show InChI InChI=1S/C25H29FN4O2/c1-14-5-6-18(21(26)9-14)20-11-23-22(10-19(20)17-7-8-29(4)12-15(17)2)30-16(3)25(31)28-27-24(30)13-32-23/h5-6,9-11,15-17H,7-8,12-13H2,1-4H3,(H,28,31)/t15-,16+,17+/m0/s1
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n/an/an/an/a 5.50E+3n/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Agonist activity at AT1 receptor (unknown origin)


J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM51796
PNG
((5Z)-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2...)
Show SMILES CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C\C=C1/SC(=S)N(C)C1=O
Show InChI InChI=1S/C23H20N2OS3/c1-3-25-19(15-14-18-22(26)24(2)23(27)28-18)29-21(17-12-8-5-9-13-17)20(25)16-10-6-4-7-11-16/h4-15H,3H2,1-2H3/b18-14-,19-15-
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n/an/an/an/a 7.44E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM66953
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1
Show InChI InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3
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n/an/an/an/a 5.78E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM66945
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H32N4O4S2/c1-31(2)16-6-17-33(29-30-26-19-24(37-3)11-14-27(26)38-29)28(34)22-9-12-25(13-10-22)39(35,36)32-18-15-21-7-4-5-8-23(21)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM66946
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C28H29FN4O3S2/c1-31(2)15-5-16-33(28-30-25-13-10-23(29)18-26(25)37-28)27(34)21-8-11-24(12-9-21)38(35,36)32-17-14-20-6-3-4-7-22(20)19-32/h3-4,6-13,18H,5,14-17,19H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76146
PNG
(MLS001239380 | N-(6-bromanyl-1,3-benzothiazol-2-yl...)
Show SMILES CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C25H31BrN4O3S2/c1-18-7-4-5-16-30(18)35(32,33)21-11-8-19(9-12-21)24(31)29(15-6-14-28(2)3)25-27-22-13-10-20(26)17-23(22)34-25/h8-13,17-18H,4-7,14-16H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76147
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(C)cccc2s1
Show InChI InChI=1S/C29H32N4O3S2/c1-21-8-6-11-26-27(21)30-29(37-26)33(18-7-17-31(2)3)28(34)23-12-14-25(15-13-23)38(35,36)32-19-16-22-9-4-5-10-24(22)20-32/h4-6,8-15H,7,16-20H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM64465
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4,7...)
Show SMILES COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O5S2/c1-32(2)17-7-18-34(30-31-27-25(38-3)14-15-26(39-4)28(27)40-30)29(35)22-10-12-24(13-11-22)41(36,37)33-19-16-21-8-5-6-9-23(21)20-33/h5-6,8-15H,7,16-20H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76148
PNG
(2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl...)
Show SMILES C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nc2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C25H25N5O2S/c1-2-12-30-24(32)23-22(19-10-6-7-11-20(19)26-23)27-25(30)33-17-21(31)29-15-13-28(14-16-29)18-8-4-3-5-9-18/h2-11,26H,1,12-17H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM58876
PNG
(MLS001066043 | N-butyl-2-[3-(4-methoxyphenyl)pheny...)
Show SMILES CCCCNc1c(nc2ccc(C)cn12)-c1cccc(c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H27N3O/c1-4-5-15-26-25-24(27-23-14-9-18(2)17-28(23)25)21-8-6-7-20(16-21)19-10-12-22(29-3)13-11-19/h6-14,16-17,26H,4-5,15H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM66950
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O3S2/c1-4-22-10-15-27-28(20-22)38-30(31-27)34(18-7-17-32(2)3)29(35)24-11-13-26(14-12-24)39(36,37)33-19-16-23-8-5-6-9-25(23)21-33/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76149
PNG
(4-[benzyl(methyl)sulfamoyl]-N-[3-(dimethylamino)pr...)
Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C29H34N4O4S2/c1-5-37-25-13-9-14-26-27(25)30-29(38-26)33(20-10-19-31(2)3)28(34)23-15-17-24(18-16-23)39(35,36)32(4)21-22-11-7-6-8-12-22/h6-9,11-18H,5,10,19-21H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76150
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-25-12-15-27-28(20-25)39-30(31-27)34(18-7-17-32(2)3)29(35)23-10-13-26(14-11-23)40(36,37)33-19-16-22-8-5-6-9-24(22)21-33/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76151
PNG
(4-[11-[[(2S)-2-[4-[5-(tert-butoxycarbonylamino)pen...)
Show SMILES CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C35H63N7O7/c1-34(2,3)48-32(46)37-21-17-13-14-18-28-26-42(39-38-28)29(27-43)31(45)36-20-16-12-10-8-7-9-11-15-19-30(44)40-22-24-41(25-23-40)33(47)49-35(4,5)6/h26,29,43H,7-25,27H2,1-6H3,(H,36,45)(H,37,46)/t29-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76152
PNG
(1-methoxy-6-[2-[(2S)-1-methyl-2-pyrrolidinyl]ethyl...)
Show SMILES COc1cccc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c12
Show InChI InChI=1S/C21H24N2O2S/c1-23-12-4-5-15(23)10-11-22-14-8-9-16-19(13-14)26-18-7-3-6-17(25-2)20(18)21(16)24/h3,6-9,13,15,22H,4-5,10-12H2,1-2H3/t15-/m0/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76097
PNG
(2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfa...)
Show SMILES CCc1nnc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)s1
Show InChI InChI=1S/C18H22N6OS2/c1-2-15-22-23-17(27-15)21-14(25)11-26-18-20-13-9-6-10-19-16(13)24(18)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,21,23,25)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76098
PNG
(3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-propyl]-furan-2...)
Show SMILES CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(CC)c3nnnn3Cc3ccccc3)cc2c1
Show InChI InChI=1S/C28H30N6O3/c1-3-26(27-30-31-32-34(27)17-20-9-6-5-7-10-20)33(19-24-11-8-14-37-24)18-22-15-21-16-23(36-4-2)12-13-25(21)29-28(22)35/h5-16,26H,3-4,17-19H2,1-2H3,(H,29,35)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76099
PNG
(3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-oxolanylm...)
Show SMILES COc1ccc2[nH]c(=O)c(cc2c1)C(N1CCc2ccccc2C1)c1nnnn1CC1CCCO1
Show InChI InChI=1S/C26H28N6O3/c1-34-20-8-9-23-19(13-20)14-22(26(33)27-23)24(31-11-10-17-5-2-3-6-18(17)15-31)25-28-29-30-32(25)16-21-7-4-12-35-21/h2-3,5-6,8-9,13-14,21,24H,4,7,10-12,15-16H2,1H3,(H,27,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76100
PNG
(3-[[[1-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-2-meth...)
Show SMILES CCOc1ccc2[nH]c(=O)c(CN(CCO)C(C(C)C)c3nnnn3C3CCCCC3)cc2c1
Show InChI InChI=1S/C25H36N6O3/c1-4-34-21-10-11-22-18(15-21)14-19(25(33)26-22)16-30(12-13-32)23(17(2)3)24-27-28-29-31(24)20-8-6-5-7-9-20/h10-11,14-15,17,20,23,32H,4-9,12-13,16H2,1-3H3,(H,26,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76101
PNG
(3-[[1-(1-benzyltetrazol-5-yl)propyl-(oxolan-2-ylme...)
Show SMILES CCC(N(CC1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C27H32N6O3/c1-3-25(26-29-30-31-33(26)16-19-8-5-4-6-9-19)32(18-23-10-7-13-36-23)17-21-14-20-15-22(35-2)11-12-24(20)28-27(21)34/h4-6,8-9,11-12,14-15,23,25H,3,7,10,13,16-18H2,1-2H3,(H,28,34)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76102
PNG
(6-Methoxy-3-{[{1-[1-(2-methoxy-ethyl)-1H-tetrazol-...)
Show SMILES CCC(N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1CCOC
Show InChI InChI=1S/C26H32N6O3/c1-5-24(25-28-29-30-32(25)12-13-34-3)31(16-19-8-6-18(2)7-9-19)17-21-14-20-15-22(35-4)10-11-23(20)27-26(21)33/h6-11,14-15,24H,5,12-13,16-17H2,1-4H3,(H,27,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM38416
PNG
(4-(2-furyl)-6,8-dimethyl-2-piperidin-1-ylpyrimido[...)
Show SMILES Cc1cc(C)n2nc3nc(nc(-c4ccco4)c3c2n1)N1CCCCC1
Show InChI InChI=1S/C19H20N6O/c1-12-11-13(2)25-18(20-12)15-16(14-7-6-10-26-14)21-19(22-17(15)23-25)24-8-4-3-5-9-24/h6-7,10-11H,3-5,8-9H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76103
PNG
(2-({2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2,3-dihyd...)
Show SMILES CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C25H27N5O3S/c1-3-16(2)27-22(32)15-34-25-29-19-12-8-7-11-18(19)23-28-20(24(33)30(23)25)13-21(31)26-14-17-9-5-4-6-10-17/h4-12,16,20H,3,13-15H2,1-2H3,(H,26,31)(H,27,32)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76104
PNG
(6,7-diethoxy-3-[(1-ethyl-2-pyrrolidinyl)methyl]-2-...)
Show SMILES CCOc1cc2[nH]c(=S)n(CC3CCCN3CC)c(=O)c2cc1OCC
Show InChI InChI=1S/C19H27N3O3S/c1-4-21-9-7-8-13(21)12-22-18(23)14-10-16(24-5-2)17(25-6-3)11-15(14)20-19(22)26/h10-11,13H,4-9,12H2,1-3H3,(H,20,26)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76105
PNG
(2-(5-{[2-(sec-butylamino)-2-oxoethyl]thio}-3-oxo-2...)
Show SMILES CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12
Show InChI InChI=1S/C25H26FN5O3S/c1-3-15(2)28-22(33)14-35-25-30-19-7-5-4-6-18(19)23-29-20(24(34)31(23)25)12-21(32)27-13-16-8-10-17(26)11-9-16/h4-11,15,20H,3,12-14H2,1-2H3,(H,27,32)(H,28,33)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76106
PNG
(6-(1-benzimidazolylmethyl)-4-(2,5-dimethylphenyl)-...)
Show SMILES COC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C
Show InChI InChI=1S/C22H22N4O3/c1-13-8-9-14(2)15(10-13)20-19(21(27)29-3)17(24-22(28)25-20)11-26-12-23-16-6-4-5-7-18(16)26/h4-10,12,19-20H,11H2,1-3H3,(H,25,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76107
PNG
(1-butan-2-yl-5-ethyl-6-hydroxy-2-(propylthio)-4-py...)
Show SMILES CCCSc1nc(O)c(CC)c(=O)n1C(C)CC
Show InChI InChI=1S/C13H22N2O2S/c1-5-8-18-13-14-11(16)10(7-3)12(17)15(13)9(4)6-2/h9,16H,5-8H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM39035
PNG
(6-(1-benzimidazolylmethyl)-4-(2,5-dimethylphenyl)-...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C
Show InChI InChI=1S/C23H24N4O3/c1-4-30-22(28)20-18(12-27-13-24-17-7-5-6-8-19(17)27)25-23(29)26-21(20)16-11-14(2)9-10-15(16)3/h5-11,13,20-21H,4,12H2,1-3H3,(H,26,29)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76108
PNG
(1-(2-methoxyphenyl)-2-methylsulfanyl-6-oxidanyl-py...)
Show SMILES COc1ccccc1-n1c(SC)nc(O)cc1=O
Show InChI InChI=1S/C12H12N2O3S/c1-17-9-6-4-3-5-8(9)14-11(16)7-10(15)13-12(14)18-2/h3-7,15H,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76109
PNG
(2-[(5-propylisoxazole-3-carbonyl)amino]-4,5,6,7-te...)
Show SMILES CCCc1cc(no1)C(=O)Nc1sc2CCCCc2c1C(=O)OCC
Show InChI InChI=1S/C18H22N2O4S/c1-3-7-11-10-13(20-24-11)16(21)19-17-15(18(22)23-4-2)12-8-5-6-9-14(12)25-17/h10H,3-9H2,1-2H3,(H,19,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76110
PNG
(1-butan-2-yl-5-ethyl-2-(ethylthio)-6-hydroxy-4-pyr...)
Show SMILES CCSc1nc(O)c(CC)c(=O)n1C(C)CC
Show InChI InChI=1S/C12H20N2O2S/c1-5-8(4)14-11(16)9(6-2)10(15)13-12(14)17-7-3/h8,15H,5-7H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76111
PNG
(1-butan-2-yl-5-ethyl-6-hydroxy-2-(prop-2-enylthio)...)
Show SMILES CCC(C)n1c(SCC=C)nc(O)c(CC)c1=O
Show InChI InChI=1S/C13H20N2O2S/c1-5-8-18-13-14-11(16)10(7-3)12(17)15(13)9(4)6-2/h5,9,16H,1,6-8H2,2-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76112
PNG
((3E)-6-hexyl-3-[5-(3,4,5-trimethoxyphenyl)-3H-1,3,...)
Show SMILES CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3cc(OC)c(OC)c(OC)c3)c(=O)oc2=CC1=O
Show InChI InChI=1S/C26H28N2O7/c1-5-6-7-8-9-15-10-16-11-18(26(30)34-20(16)14-19(15)29)25-28-27-24(35-25)17-12-21(31-2)23(33-4)22(13-17)32-3/h10-14,28H,5-9H2,1-4H3/b25-18+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76113
PNG
(3-({[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl...)
Show SMILES COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(C(C)C)c3nnnn3Cc3ccccc3)cc2c1
Show InChI InChI=1S/C28H30N6O3/c1-19(2)26(27-30-31-32-34(27)16-20-8-5-4-6-9-20)33(18-24-10-7-13-37-24)17-22-14-21-15-23(36-3)11-12-25(21)29-28(22)35/h4-15,19,26H,16-18H2,1-3H3,(H,29,35)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76114
PNG
(3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-prop...)
Show SMILES CCOc1cc2[nH]c(=S)n(CCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OCC
Show InChI InChI=1S/C24H27N3O4S/c1-3-30-20-13-18-19(14-21(20)31-4-2)25-24(32)27(23(18)29)12-10-22(28)26-11-9-16-7-5-6-8-17(16)15-26/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,25,32)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76115
PNG
(6,7-diethoxy-3-[2-(4-methyl-1-piperidinyl)ethyl]-2...)
Show SMILES CCOc1cc2[nH]c(=S)n(CCN3CCC(C)CC3)c(=O)c2cc1OCC
Show InChI InChI=1S/C20H29N3O3S/c1-4-25-17-12-15-16(13-18(17)26-5-2)21-20(27)23(19(15)24)11-10-22-8-6-14(3)7-9-22/h12-14H,4-11H2,1-3H3,(H,21,27)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76116
PNG
(6,7-diethoxy-3-[2-(2-ethyl-1-piperidinyl)ethyl]-2-...)
Show SMILES CCOc1cc2[nH]c(=S)n(CCN3CCCCC3CC)c(=O)c2cc1OCC
Show InChI InChI=1S/C21H31N3O3S/c1-4-15-9-7-8-10-23(15)11-12-24-20(25)16-13-18(26-5-2)19(27-6-3)14-17(16)22-21(24)28/h13-15H,4-12H2,1-3H3,(H,22,28)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM76117
PNG
(2-naphthalenesulfonic acid [(Z)-[amino(pyridin-4-y...)
Show SMILES NC(=NOS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1
Show InChI InChI=1S/C16H13N3O3S/c17-16(13-7-9-18-10-8-13)19-22-23(20,21)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H2,17,19)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50895
PNG
((4Z)-4-[[5-(2,5-dichlorophenyl)-2-furanyl]methylid...)
Show SMILES CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C15H9Cl2NO3/c1-8-11(15(19)21-18-8)7-10-3-5-14(20-10)12-6-9(16)2-4-13(12)17/h2-7H,1H3/b11-7-
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n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PR7TFT
More data for this
Ligand-Target Pair
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