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Compile Data Set for Download or QSAR

Found 5208 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 AT1B


(RAT)
BDBM50370684
PNG
(CHEMBL1791349)
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)CNC)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/C49H71N13O10/c1-6-29(4)41(46(69)58-36(24-32-25-53-27-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)40(28(2)3)60-42(65)34(56-39(64)26-52-5)14-10-20-54-49(50)51/h7-9,12-13,16-19,25,27-29,34-38,40-41,52,63H,6,10-11,14-15,20-24,26H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,50,51,54)/t29-,34+,35+,36+,37+,38+,40+,41+/m1/s1
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0.160n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50370684
PNG
(CHEMBL1791349)
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)CNC)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/C49H71N13O10/c1-6-29(4)41(46(69)58-36(24-32-25-53-27-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)40(28(2)3)60-42(65)34(56-39(64)26-52-5)14-10-20-54-49(50)51/h7-9,12-13,16-19,25,27-29,34-38,40-41,52,63H,6,10-11,14-15,20-24,26H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,50,51,54)/t29-,34+,35+,36+,37+,38+,40+,41+/m1/s1
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0.180n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50370686
PNG
(CHEMBL1791350)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](N)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](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H68N12O11/c1-5-26(4)36(56-43(66)37(48)57-41(64)35(25(2)3)55-39(62)30(18-12-20-51-46(49)50)52-38(61)29(47)24-34(59)60)42(65)53-31(22-27-14-8-6-9-15-27)44(67)58-21-13-19-33(58)40(63)54-32(45(68)69)23-28-16-10-7-11-17-28/h6-11,14-17,25-26,29-33,35-37H,5,12-13,18-24,47-48H2,1-4H3,(H,52,61)(H,53,65)(H,54,63)(H,55,62)(H,56,66)(H,57,64)(H,59,60)(H,68,69)(H4,49,50,51)/t26-,29+,30+,31+,32+,33+,35+,36+,37-/m1/s1
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0.700n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50175584
PNG
((S)-3-Amino-N-((S)-1-{1-[(S)-3-[2-[2-((S)-(S)-1-ca...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCc1cc(Cc2ccc(O)cc2)cc(c1)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/C50H64N12O11/c1-28(2)42(61-45(68)37(10-6-16-55-50(52)53)58-44(67)36(51)24-41(64)65)47(70)56-25-32-19-31(18-30-12-14-35(63)15-13-30)20-33(21-32)43(66)59-38(23-34-26-54-27-57-34)48(71)62-17-7-11-40(62)46(69)60-39(49(72)73)22-29-8-4-3-5-9-29/h3-5,8-9,12-15,19-21,26-28,36-40,42,63H,6-7,10-11,16-18,22-25,51H2,1-2H3,(H,54,57)(H,56,70)(H,58,67)(H,59,66)(H,60,69)(H,61,68)(H,64,65)(H,72,73)(H4,52,53,55)/t36-,37-,38-,39-,40-,42-/m0/s1
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1.85n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50175586
PNG
((S)-3-Amino-N-((S)-1-{(S)-1-[(S)-3-[2-[2-((S)-(S)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)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/C49H62N12O11/c1-27(2)41(60-44(67)36(10-6-16-54-49(51)52)57-43(66)35(50)24-40(63)64)46(69)56-32-20-30(18-29-12-14-34(62)15-13-29)19-31(22-32)42(65)58-37(23-33-25-53-26-55-33)47(70)61-17-7-11-39(61)45(68)59-38(48(71)72)21-28-8-4-3-5-9-28/h3-5,8-9,12-15,19-20,22,25-27,35-39,41,62H,6-7,10-11,16-18,21,23-24,50H2,1-2H3,(H,53,55)(H,56,69)(H,57,66)(H,58,65)(H,59,68)(H,60,67)(H,63,64)(H,71,72)(H4,51,52,54)/t35-,36-,37-,38-,39-,41-/m0/s1
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9.80n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50175585
PNG
((S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carbo...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1cc(Cc2ccc(O)cc2)cc(c1)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/C45H55N11O10/c46-33(22-38(58)59)40(61)53-34(8-4-14-50-45(47)48)41(62)51-23-29-17-28(16-27-10-12-32(57)13-11-27)18-30(19-29)39(60)54-35(21-31-24-49-25-52-31)43(64)56-15-5-9-37(56)42(63)55-36(44(65)66)20-26-6-2-1-3-7-26/h1-3,6-7,10-13,17-19,24-25,33-37,57H,4-5,8-9,14-16,20-23,46H2,(H,49,52)(H,51,62)(H,53,61)(H,54,60)(H,55,63)(H,58,59)(H,65,66)(H4,47,48,50)/t33-,34-,35-,36-,37-/m0/s1
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10.1n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50175586
PNG
((S)-3-Amino-N-((S)-1-{(S)-1-[(S)-3-[2-[2-((S)-(S)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)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/C49H62N12O11/c1-27(2)41(60-44(67)36(10-6-16-54-49(51)52)57-43(66)35(50)24-40(63)64)46(69)56-32-20-30(18-29-12-14-34(62)15-13-29)19-31(22-32)42(65)58-37(23-33-25-53-26-55-33)47(70)61-17-7-11-39(61)45(68)59-38(48(71)72)21-28-8-4-3-5-9-28/h3-5,8-9,12-15,19-20,22,25-27,35-39,41,62H,6-7,10-11,16-18,21,23-24,50H2,1-2H3,(H,53,55)(H,56,69)(H,57,66)(H,58,65)(H,59,68)(H,60,67)(H,63,64)(H,71,72)(H4,51,52,54)/t35-,36-,37-,38-,39-,41-/m0/s1
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30.3n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50175587
PNG
((S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carbo...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)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/C44H53N11O10/c45-32(22-37(57)58)39(60)52-33(8-4-14-49-44(46)47)40(61)51-29-18-27(16-26-10-12-31(56)13-11-26)17-28(20-29)38(59)53-34(21-30-23-48-24-50-30)42(63)55-15-5-9-36(55)41(62)54-35(43(64)65)19-25-6-2-1-3-7-25/h1-3,6-7,10-13,17-18,20,23-24,32-36,56H,4-5,8-9,14-16,19,21-22,45H2,(H,48,50)(H,51,61)(H,52,60)(H,53,59)(H,54,62)(H,57,58)(H,64,65)(H4,46,47,49)/t32-,33-,34-,35-,36-/m0/s1
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41.3n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50370685
PNG
(CHEMBL1791351)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1cc(CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)cc(Cc2ccc(O)cc2)c1)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/C51H66N12O11/c1-3-29(2)43(48(71)60-39(24-35-27-55-28-58-35)49(72)63-18-8-12-41(63)47(70)61-40(50(73)74)23-30-9-5-4-6-10-30)62-44(67)34-21-32(19-31-13-15-36(64)16-14-31)20-33(22-34)26-57-46(69)38(11-7-17-56-51(53)54)59-45(68)37(52)25-42(65)66/h4-6,9-10,13-16,20-22,27-29,37-41,43,64H,3,7-8,11-12,17-19,23-26,52H2,1-2H3,(H,55,58)(H,57,69)(H,59,68)(H,60,71)(H,61,70)(H,62,67)(H,65,66)(H,73,74)(H4,53,54,56)/t29-,37+,38+,39+,40+,41+,43+/m1/s1
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464n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 2 in pig uterus myometrium using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 1.5 h...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50370686
PNG
(CHEMBL1791350)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](N)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](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H68N12O11/c1-5-26(4)36(56-43(66)37(48)57-41(64)35(25(2)3)55-39(62)30(18-12-20-51-46(49)50)52-38(61)29(47)24-34(59)60)42(65)53-31(22-27-14-8-6-9-15-27)44(67)58-21-13-19-33(58)40(63)54-32(45(68)69)23-28-16-10-7-11-17-28/h6-11,14-17,25-26,29-33,35-37H,5,12-13,18-24,47-48H2,1-4H3,(H,52,61)(H,53,65)(H,54,63)(H,55,62)(H,56,66)(H,57,64)(H,59,60)(H,68,69)(H4,49,50,51)/t26-,29+,30+,31+,32+,33+,35+,36+,37-/m1/s1
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>1.00E+4n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50175587
PNG
((S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carbo...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)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/C44H53N11O10/c45-32(22-37(57)58)39(60)52-33(8-4-14-49-44(46)47)40(61)51-29-18-27(16-26-10-12-31(56)13-11-26)17-28(20-29)38(59)53-34(21-30-23-48-24-50-30)42(63)55-15-5-9-36(55)41(62)54-35(43(64)65)19-25-6-2-1-3-7-25/h1-3,6-7,10-13,17-18,20,23-24,32-36,56H,4-5,8-9,14-16,19,21-22,45H2,(H,48,50)(H,51,61)(H,52,60)(H,53,59)(H,54,62)(H,57,58)(H,64,65)(H4,46,47,49)/t32-,33-,34-,35-,36-/m0/s1
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>1.00E+4n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50175585
PNG
((S)-3-Amino-N-{(S)-1-[3-[(S)-2-[2-((S)-(S)-1-carbo...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCc1cc(Cc2ccc(O)cc2)cc(c1)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/C45H55N11O10/c46-33(22-38(58)59)40(61)53-34(8-4-14-50-45(47)48)41(62)51-23-29-17-28(16-27-10-12-32(57)13-11-27)18-30(19-29)39(60)54-35(21-31-24-49-25-52-31)43(64)56-15-5-9-37(56)42(63)55-36(44(65)66)20-26-6-2-1-3-7-26/h1-3,6-7,10-13,17-19,24-25,33-37,57H,4-5,8-9,14-16,20-23,46H2,(H,49,52)(H,51,62)(H,53,61)(H,54,60)(H,55,63)(H,58,59)(H,65,66)(H4,47,48,50)/t33-,34-,35-,36-,37-/m0/s1
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>1.00E+4n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50175584
PNG
((S)-3-Amino-N-((S)-1-{1-[(S)-3-[2-[2-((S)-(S)-1-ca...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCc1cc(Cc2ccc(O)cc2)cc(c1)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/C50H64N12O11/c1-28(2)42(61-45(68)37(10-6-16-55-50(52)53)58-44(67)36(51)24-41(64)65)47(70)56-25-32-19-31(18-30-12-14-35(63)15-13-30)20-33(21-32)43(66)59-38(23-34-26-54-27-57-34)48(71)62-17-7-11-40(62)46(69)60-39(49(72)73)22-29-8-4-3-5-9-29/h3-5,8-9,12-15,19-21,26-28,36-40,42,63H,6-7,10-11,16-18,22-25,51H2,1-2H3,(H,54,57)(H,56,70)(H,58,67)(H,59,66)(H,60,69)(H,61,68)(H,64,65)(H,72,73)(H4,52,53,55)/t36-,37-,38-,39-,40-,42-/m0/s1
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>1.00E+4n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50370685
PNG
(CHEMBL1791351)
Show SMILES CC[C@@H](C)[C@H](NC(=O)c1cc(CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)cc(Cc2ccc(O)cc2)c1)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/C51H66N12O11/c1-3-29(2)43(48(71)60-39(24-35-27-55-28-58-35)49(72)63-18-8-12-41(63)47(70)61-40(50(73)74)23-30-9-5-4-6-10-30)62-44(67)34-21-32(19-31-13-15-36(64)16-14-31)20-33(22-34)26-57-46(69)38(11-7-17-56-51(53)54)59-45(68)37(52)25-42(65)66/h4-6,9-10,13-16,20-22,27-29,37-41,43,64H,3,7-8,11-12,17-19,23-26,52H2,1-2H3,(H,55,58)(H,57,69)(H,59,68)(H,60,71)(H,61,70)(H,62,67)(H,65,66)(H,73,74)(H4,53,54,56)/t29-,37+,38+,39+,40+,41+,43+/m1/s1
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>1.00E+4n/an/an/an/an/an/a7.4n/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for angiotensin II receptor, type 1 in rat liver membrane using [125I]-Ang II as radioligand, in pH 7.4 Tris-HCl buffer for 2 hr at ...


J Med Chem 48: 6620-31 (2005)


Article DOI: 10.1021/jm050280z
BindingDB Entry DOI: 10.7270/Q2HX1DG6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50091105
PNG
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
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>0.000100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1


J Med Chem 45: 3829-35 (2002)


Article DOI: 10.1021/jm020138n
BindingDB Entry DOI: 10.7270/Q2Z60NDM
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50091105
PNG
(4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2ncco2)c1C
Show InChI InChI=1S/C20H17N3O4S/c1-13-14(2)22-27-19(13)23-28(24,25)18-6-4-3-5-17(18)15-7-9-16(10-8-15)20-21-11-12-26-20/h3-12,23H,1-2H3
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>0.000100n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1


J Med Chem 45: 3829-35 (2002)


Article DOI: 10.1021/jm020138n
BindingDB Entry DOI: 10.7270/Q2Z60NDM
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82431
PNG
(L-162,193 | L-162193 | N-[[4-[[[6-[4-(Cyclopropylc...)
Show SMILES CCCCOC(=O)N[S](=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccc(cc3c2=O)N2CCN(CC2)C(=O)C2CC2)cc1
Show InChI InChI=1S/C38H45N5O6S/c1-3-5-11-35-39-33-19-18-30(41-20-22-42(23-21-41)36(44)29-16-17-29)25-32(33)37(45)43(35)26-27-12-14-28(15-13-27)31-9-7-8-10-34(31)50(47,48)40-38(46)49-24-6-4-2/h7-10,12-15,18-19,25,29H,3-6,11,16-17,20-24,26H2,1-2H3,(H,40,46)
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50370575
PNG
(CHEMBL1791308)
Show SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c2N[C@@H](Cc2ccc(O)cc2)C1=O)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/C57H76N14O12/c1-5-32(4)48(53(79)67-42(26-36-28-61-30-63-36)54(80)70-23-11-17-44(70)51(77)68-43(56(82)83)25-33-12-7-6-8-13-33)71-29-35-14-9-15-39(47(35)64-41(55(71)81)24-34-18-20-37(72)21-19-34)65-52(78)46(31(2)3)69-50(76)40(16-10-22-62-57(59)60)66-49(75)38(58)27-45(73)74/h6-9,12-15,18-21,28,30-32,38,40-44,46,48,64,72H,5,10-11,16-17,22-27,29,58H2,1-4H3,(H,61,63)(H,65,78)(H,66,75)(H,67,79)(H,68,77)(H,69,76)(H,73,74)(H,82,83)(H4,59,60,62)/t32-,38+,40+,41+,42+,43+,44+,46+,48+/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus myometrium


J Med Chem 48: 4009-24 (2005)


Article DOI: 10.1021/jm0491492
BindingDB Entry DOI: 10.7270/Q2BR8SZD
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
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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0.120n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
AGTR1


(RAT)
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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0.120n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.084
BindingDB Entry DOI: 10.7270/Q2SN0BT6
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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0.160n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Angiotensin 2 from human placental AT1 receptor expressed in African green monkey COS7 cell membranes after 90 mins by gamma cou...


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))
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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0.170n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Angiotensin II receptor


(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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0.200n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1355-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.084
BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM82077
PNG
(Angiotensin II | CAS_11128-99-7 | NSC_439662)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63)
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0.210n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT1 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50015662
PNG
(3-Amino-N-{1-[5-[2-[2-(1-carboxy-2-phenyl-ethylcar...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSSCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)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/C47H63N13O12S2/c48-30(23-38(62)63)39(64)54-31(8-4-16-52-47(49)50)40(65)55-32-14-18-73-74-19-15-33(56-43(68)34(57-41(32)66)20-27-10-12-29(61)13-11-27)42(67)58-35(22-28-24-51-25-53-28)45(70)60-17-5-9-37(60)44(69)59-36(46(71)72)21-26-6-2-1-3-7-26/h1-3,6-7,10-13,24-25,30-37,61H,4-5,8-9,14-23,48H2,(H,51,53)(H,54,64)(H,55,65)(H,56,68)(H,57,66)(H,58,67)(H,59,69)(H,62,63)(H,71,72)(H4,49,50,52)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II


J Med Chem 45: 1767-77 (2002)


Article DOI: 10.1021/jm011063a
BindingDB Entry DOI: 10.7270/Q2QV3N7W
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50043280
PNG
(4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C
Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
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0.230n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane


J Med Chem 53: 1076-85 (2010)


Article DOI: 10.1021/jm901272d
BindingDB Entry DOI: 10.7270/Q22V2H2Q
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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0.240n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-Asp-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-ValTyr-Ile-His-Pro-Phe-OH Tris(hydrotrifluoroacetate) from human AT1 re...


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 AT2


(RAT)
BDBM82435
PNG
(1-[2,4,6-Trichlorophenyl]-3-butyl-4-[[2'-(1H-t...)
Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C28H23Cl3N6O2/c1-2-3-8-24-21(25(28(38)39)37(34-24)26-22(30)14-18(29)15-23(26)31)13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)27-32-35-36-33-27/h4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,38,39)(H,32,33,35,36)
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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM82077
PNG
(Angiotensin II | CAS_11128-99-7 | NSC_439662)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63)
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0.280n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031962
PNG
(3-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C28H25N7O/c1-4-7-24-30-25-16(2)12-17(3)29-28(25)35(24)15-18-10-11-21-22(13-18)26(36)20-9-6-5-8-19(20)14-23(21)27-31-33-34-32-27/h5-6,8-14H,4,7,15H2,1-3H3,(H,31,32,33,34)
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0.290n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


Article DOI: 10.1021/jm00014a024
BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50370575
PNG
(CHEMBL1791308)
Show SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)c2N[C@@H](Cc2ccc(O)cc2)C1=O)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/C57H76N14O12/c1-5-32(4)48(53(79)67-42(26-36-28-61-30-63-36)54(80)70-23-11-17-44(70)51(77)68-43(56(82)83)25-33-12-7-6-8-13-33)71-29-35-14-9-15-39(47(35)64-41(55(71)81)24-34-18-20-37(72)21-19-34)65-52(78)46(31(2)3)69-50(76)40(16-10-22-62-57(59)60)66-49(75)38(58)27-45(73)74/h6-9,12-15,18-21,28,30-32,38,40-44,46,48,64,72H,5,10-11,16-17,22-27,29,58H2,1-4H3,(H,61,63)(H,65,78)(H,66,75)(H,67,79)(H,68,77)(H,69,76)(H,73,74)(H,82,83)(H4,59,60,62)/t32-,38+,40+,41+,42+,43+,44+,46+,48+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus myometrium


J Med Chem 48: 4009-24 (2005)


Article DOI: 10.1021/jm0491492
BindingDB Entry DOI: 10.7270/Q2BR8SZD
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82077
PNG
(Angiotensin II | CAS_11128-99-7 | NSC_439662)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63)
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0.310n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM82259
PNG
(CAS_123856 | L-158,809 | NSC_123856)
Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29)
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0.310n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM50030727
PNG
(4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C33H29F3N4O4S/c1-2-3-17-30-37-40(28-15-9-8-14-27(28)33(34,35)36)32(42)39(30)22-23-18-20-24(21-19-23)26-13-7-10-16-29(26)45(43,44)38-31(41)25-11-5-4-6-12-25/h4-16,18-21H,2-3,17,22H2,1H3,(H,38,41)
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0.320n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 612-8 (1995)


BindingDB Entry DOI: 10.7270/Q2FB51GP
More data for this
Ligand-Target Pair
Angiotensin II AT2


(RAT)
BDBM86060
PNG
(CAS_123794 | CGP 42112 | NSC_123794)
Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCCNC(=O)C(CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O
Show InChI InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)
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0.370n/an/an/an/an/an/an/an/a



Shinshu University

Curated by PDSP Ki Database




Fundam Clin Pharmacol 16: 317-23 (2002)


BindingDB Entry DOI: 10.7270/Q2697259
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.084
BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33)
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ang II from pig uterus membrane angiotensin II type 2 (AT2) receptor


J Med Chem 47: 5995-6008 (2004)


Article DOI: 10.1021/jm049715t
BindingDB Entry DOI: 10.7270/Q29Z95PH
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor (unknown origin)


ACS Med Chem Lett 5: 1129-32 (2014)


Article DOI: 10.1021/ml500278g
BindingDB Entry DOI: 10.7270/Q2BV7J7R
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.10.084
BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to AT2 receptor


Bioorg Med Chem 18: 4570-90 (2010)


Article DOI: 10.1016/j.bmc.2010.03.064
BindingDB Entry DOI: 10.7270/Q2VD70F0
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031954
PNG
(3-(2-Cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridi...)
Show SMILES Cc1cc(C)c2nc(C3CC3)n(Cc3ccc4c(cc5ccccc5c(=O)c4c3)-c3nnn[nH]3)c2n1
Show InChI InChI=1S/C28H23N7O/c1-15-11-16(2)29-28-24(15)30-27(18-8-9-18)35(28)14-17-7-10-21-22(12-17)25(36)20-6-4-3-5-19(20)13-23(21)26-31-33-34-32-26/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,31,32,33,34)
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0.450n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


Article DOI: 10.1021/jm00014a024
BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50009718
PNG
(2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
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0.450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor from rat liver


J Med Chem 36: 2676-88 (1993)


Article DOI: 10.1021/jm00070a012
BindingDB Entry DOI: 10.7270/Q2QF8TGV
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50228201
PNG
(CHEMBL265084)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C54H73N13O10/c1-31(2)45(65-47(70)39(61-44(69)29-57-5)13-9-23-59-54(55)56)50(73)62-40(25-34-17-21-38(68)22-18-34)48(71)66-46(32(3)4)51(74)63-41(27-37-28-58-30-60-37)52(75)67-24-10-14-43(67)49(72)64-42(53(76)77)26-33-15-19-36(20-16-33)35-11-7-6-8-12-35/h6-8,11-12,15-22,28,30-32,39-43,45-46,57,68H,9-10,13-14,23-27,29H2,1-5H3,(H,58,60)(H,61,69)(H,62,73)(H,63,74)(H,64,72)(H,65,70)(H,66,71)(H,76,77)(H4,55,56,59)/t39-,40-,41-,42+,43+,45-,46-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [Sar1,Ile5,8]AII binding to angiotensin II receptor in rat brain


J Med Chem 32: 898-903 (1989)


Article DOI: 10.1021/jm00124a028
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031953
PNG
(3-(2-Ethyl-6-methoxy-[1,5]naphthyridin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2nc(OC)ccc2n1
Show InChI InChI=1S/C28H22N6O3/c1-3-18-14-24(26-23(29-18)10-11-25(30-26)36-2)37-15-16-8-9-20-21(12-16)27(35)19-7-5-4-6-17(19)13-22(20)28-31-33-34-32-28/h4-14H,3,15H2,1-2H3,(H,31,32,33,34)
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0.480n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


Article DOI: 10.1021/jm00014a024
BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031957
PNG
(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-5H-...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Cc3ccccc3C=C2c2nnn[nH]2)c1
Show InChI InChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34)
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0.490n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


Article DOI: 10.1021/jm00014a024
BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
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