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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'beaudry' and Initial = 'h'   
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-2 angiotensin II receptor


(Homo sapiens (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 |wU:68.73,15.15,55.57,41.42,30.30,2.2,wD:4.4,19.26,72.76,(20.86,-11.16,;20.86,-9.62,;19.5,-8.85,;18.13,-9.62,;19.5,-7.31,;18.13,-6.53,;17.29,-7.83,;15.7,-8,;15.29,-9.47,;13.78,-9.86,;12.67,-8.77,;13.1,-7.3,;11.74,-6.61,;10.41,-7.27,;10.41,-8.62,;9.06,-6.59,;7.72,-7.27,;6.37,-6.59,;6.4,-5.24,;5.03,-7.24,;5.03,-8.61,;6.22,-9.28,;6.2,-10.63,;7.41,-11.31,;7.4,-12.65,;6.2,-13.32,;8.58,-13.35,;3.69,-6.58,;2.35,-7.24,;2.35,-8.58,;.99,-6.58,;-.35,-7.21,;1.02,-5.24,;-.33,-4.54,;-1.69,-5.21,;-.32,-3.2,;9.07,-5.22,;10.45,-4.54,;7.71,-4.51,;14.61,-6.9,;14.8,-5.36,;16.14,-4.57,;15.99,-3.04,;16.77,-1.69,;15.97,-.38,;16.74,.97,;18.32,.97,;19.09,2.32,;19.13,-.34,;18.35,-1.69,;17.63,-5.09,;18.76,-3.99,;20.86,-6.53,;20.86,-5,;22.25,-7.3,;23.67,-6.69,;23.73,-5.14,;24.52,-3.79,;26.07,-3.63,;26.4,-2.11,;25.03,-1.35,;23.84,-2.38,;25,-7.41,;24.92,-8.77,;26.39,-6.67,;25.88,-5.19,;27.18,-4.28,;28.45,-5.19,;27.97,-6.67,;29.35,-7.43,;29.34,-8.98,;30.71,-6.67,;32.02,-7.41,;31.94,-8.77,;33.27,-9.48,;34.67,-8.88,;35.98,-9.63,;35.9,-10.95,;34.48,-11.61,;33.19,-10.87,;33.44,-6.8,;34.77,-7.53,;33.52,-5.43,)|
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
Type-2 angiotensin II receptor


(Homo sapiens (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 |wU:68.73,15.15,55.57,41.42,30.30,2.2,wD:4.4,19.26,72.76,(20.86,-11.16,;20.86,-9.62,;19.5,-8.85,;18.13,-9.62,;19.5,-7.31,;18.13,-6.53,;17.29,-7.83,;15.7,-8,;15.29,-9.47,;13.78,-9.86,;12.67,-8.77,;13.1,-7.3,;11.74,-6.61,;10.41,-7.27,;10.41,-8.62,;9.06,-6.59,;7.72,-7.27,;6.37,-6.59,;6.4,-5.24,;5.03,-7.24,;5.03,-8.61,;6.22,-9.28,;6.2,-10.63,;7.41,-11.31,;7.4,-12.65,;6.2,-13.32,;8.58,-13.35,;3.69,-6.58,;2.35,-7.24,;2.35,-8.58,;.99,-6.58,;-.35,-7.21,;1.02,-5.24,;-.33,-4.54,;-1.69,-5.21,;-.32,-3.2,;9.07,-5.22,;10.45,-4.54,;7.71,-4.51,;14.61,-6.9,;14.8,-5.36,;16.14,-4.57,;15.99,-3.04,;16.77,-1.69,;15.97,-.38,;16.74,.97,;18.32,.97,;19.09,2.32,;19.13,-.34,;18.35,-1.69,;17.63,-5.09,;18.76,-3.99,;20.86,-6.53,;20.86,-5,;22.25,-7.3,;23.67,-6.69,;23.73,-5.14,;24.52,-3.79,;26.07,-3.63,;26.4,-2.11,;25.03,-1.35,;23.84,-2.38,;25,-7.41,;24.92,-8.77,;26.39,-6.67,;25.88,-5.19,;27.18,-4.28,;28.45,-5.19,;27.97,-6.67,;29.35,-7.43,;29.34,-8.98,;30.71,-6.67,;32.02,-7.41,;31.94,-8.77,;33.27,-9.48,;34.67,-8.88,;35.98,-9.63,;35.9,-10.95,;34.48,-11.61,;33.19,-10.87,;33.44,-6.8,;34.77,-7.53,;33.52,-5.43,)|
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
Type-2 angiotensin II receptor


(Homo sapiens (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
Type-1 angiotensin II receptor


(Sus scrofa)
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 [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50156167
PNG
(CHEMBL361927 | butyl (5-isobutylthien-2-yl)sulfony...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2C)cc1
Show InChI InChI=1S/C24H31N3O4S2/c1-5-6-13-31-24(28)26-33(29,30)23-22(15-21(32-23)14-17(2)3)20-9-7-19(8-10-20)16-27-12-11-25-18(27)4/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,26,28)
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0.5n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50141059
PNG
(CHEMBL289614 | L-162782 | N-Butyloxycarbonyl-4'-(2...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C32H40N4O4S/c1-7-9-16-40-32(37)35-41(38,39)28-15-12-25(17-21(3)4)19-27(28)26-13-10-24(11-14-26)20-36-29(8-2)34-30-22(5)18-23(6)33-31(30)36/h10-15,18-19,21H,7-9,16-17,20H2,1-6H3,(H,35,37)
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0.700n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50199326
PNG
(CHEMBL217673 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-4-5-14-32-25(29)27-33(30,31)24-11-8-21(15-19(2)3)16-23(24)22-9-6-20(7-10-22)17-28-13-12-26-18-28/h6-13,16,18-19H,4-5,14-15,17H2,1-3H3,(H,27,29)
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0.700n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50168428
PNG
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S)-4-({[(2S)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12
Show InChI InChI=1S/C53H68N14O12/c1-29(2)44(65-47(73)37(13-7-19-58-53(55)56)63-46(72)35(54)24-43(70)71)49(75)62-36-12-6-11-32-26-66(50(76)38(61-45(32)36)21-31-15-17-34(68)18-16-31)27-42(69)60-39(23-33-25-57-28-59-33)51(77)67-20-8-14-41(67)48(74)64-40(52(78)79)22-30-9-4-3-5-10-30/h3-6,9-12,15-18,25,28-29,35,37-41,44,61,68H,7-8,13-14,19-24,26-27,54H2,1-2H3,(H,57,59)(H,60,69)(H,62,75)(H,63,72)(H,64,74)(H,65,73)(H,70,71)(H,78,79)(H4,55,56,58)/t35-,37-,38-,39-,40-,41-,44-/m0/s1
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0.800n/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
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50370375
PNG
(CHEMBL268815)
Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#7])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O
Show InChI InChI=1S/C53H74N12O12/c1-5-30(4)44(50(74)61-39(26-32-15-19-34(54)20-16-32)51(75)65-24-10-14-41(65)48(72)62-40(52(76)77)27-31-11-7-6-8-12-31)64-47(71)38(25-33-17-21-35(66)22-18-33)60-49(73)43(29(2)3)63-46(70)37(13-9-23-58-53(56)57)59-45(69)36(55)28-42(67)68/h6-8,11-12,15-22,29-30,36-41,43-44,66H,5,9-10,13-14,23-28,54-55H2,1-4H3,(H,59,69)(H,60,73)(H,61,74)(H,62,72)(H,63,70)(H,64,71)(H,67,68)(H,76,77)(H4,56,57,58)/t30-,36+,37+,38+,39+,40+,41+,43+,44+/m1/s1
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0.900n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251514
PNG
(CHEMBL480906 | N-Butoxycarbonyl-3-[4-(N-benzylcarb...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C27H32N2O5S2/c1-4-5-15-34-27(31)29-36(32,33)26-24(17-23(35-26)16-19(2)3)21-11-13-22(14-12-21)25(30)28-18-20-9-7-6-8-10-20/h6-14,17,19H,4-5,15-16,18H2,1-3H3,(H,28,30)(H,29,31)
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1n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)
BDBM50049189
PNG
(3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-y...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
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1.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50049189
PNG
(3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-y...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
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2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)
BDBM50141059
PNG
(CHEMBL289614 | L-162782 | N-Butyloxycarbonyl-4'-(2...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C32H40N4O4S/c1-7-9-16-40-32(37)35-41(38,39)28-15-12-25(17-21(3)4)19-27(28)26-13-10-24(11-14-26)20-36-29(8-2)34-30-22(5)18-23(6)33-31(30)36/h10-15,18-19,21H,7-9,16-17,20H2,1-6H3,(H,35,37)
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2.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50370576
PNG
(CHEMBL1791309)
Show SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)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 |wU:61.66,48.50,15.22,34.35,2.2,wD:4.4,65.69,26.26,(17.04,-11.58,;17.04,-10.04,;15.66,-9.27,;14.31,-10.04,;15.66,-7.73,;14.31,-6.96,;13.45,-8.27,;11.88,-8.43,;11.49,-9.89,;9.96,-10.28,;8.85,-9.2,;9.27,-7.73,;7.91,-6.94,;6.57,-7.6,;6.59,-8.95,;5.22,-6.94,;5.22,-5.59,;3.89,-4.92,;3.91,-3.59,;2.54,-2.91,;2.56,-1.57,;1.23,-.89,;3.92,-.92,;3.91,-7.62,;2.54,-6.94,;2.54,-5.61,;1.2,-7.62,;-.15,-6.96,;1.2,-8.95,;-.12,-9.64,;-1.47,-8.98,;-.11,-10.97,;10.79,-7.33,;10.97,-5.81,;12.32,-5.01,;12.16,-3.47,;12.94,-2.15,;14.52,-2.12,;15.29,-.81,;14.5,.52,;15.27,1.86,;12.91,.49,;12.14,-.84,;13.8,-5.53,;14.93,-4.46,;17.04,-6.96,;17.04,-5.43,;18.42,-7.73,;19.82,-7.11,;19.89,-5.56,;20.67,-4.25,;22.22,-4.06,;22.54,-2.56,;21.18,-1.8,;20.01,-2.83,;21.14,-7.82,;21.05,-9.2,;22.54,-7.1,;22.04,-5.64,;23.33,-4.73,;24.61,-5.64,;24.12,-7.1,;25.48,-7.86,;25.48,-9.4,;26.86,-7.11,;28.17,-7.85,;28.07,-9.22,;29.42,-9.91,;29.32,-11.29,;30.62,-12.02,;32.03,-11.39,;32.13,-10.05,;30.8,-9.29,;29.59,-7.23,;30.9,-7.96,;29.66,-5.86,)|
Show InChI InChI=1S/C52H67N13O11/c1-3-29(2)44(48(72)62-39(24-33-26-56-28-58-33)49(73)64-21-9-15-41(64)47(71)63-40(51(75)76)23-30-10-5-4-6-11-30)65-27-32-12-7-13-36(43(32)59-38(50(65)74)22-31-16-18-34(66)19-17-31)60-46(70)37(14-8-20-57-52(54)55)61-45(69)35(53)25-42(67)68/h4-7,10-13,16-19,26,28-29,35,37-41,44,59,66H,3,8-9,14-15,20-25,27,53H2,1-2H3,(H,56,58)(H,60,70)(H,61,69)(H,62,72)(H,63,71)(H,67,68)(H,75,76)(H4,54,55,57)/t29-,35+,37+,38+,39+,40+,41+,44+/m1/s1
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2.60n/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
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50370576
PNG
(CHEMBL1791309)
Show SMILES CC[C@@H](C)[C@H](N1Cc2cccc(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)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 |wU:61.66,48.50,15.22,34.35,2.2,wD:4.4,65.69,26.26,(17.04,-11.58,;17.04,-10.04,;15.66,-9.27,;14.31,-10.04,;15.66,-7.73,;14.31,-6.96,;13.45,-8.27,;11.88,-8.43,;11.49,-9.89,;9.96,-10.28,;8.85,-9.2,;9.27,-7.73,;7.91,-6.94,;6.57,-7.6,;6.59,-8.95,;5.22,-6.94,;5.22,-5.59,;3.89,-4.92,;3.91,-3.59,;2.54,-2.91,;2.56,-1.57,;1.23,-.89,;3.92,-.92,;3.91,-7.62,;2.54,-6.94,;2.54,-5.61,;1.2,-7.62,;-.15,-6.96,;1.2,-8.95,;-.12,-9.64,;-1.47,-8.98,;-.11,-10.97,;10.79,-7.33,;10.97,-5.81,;12.32,-5.01,;12.16,-3.47,;12.94,-2.15,;14.52,-2.12,;15.29,-.81,;14.5,.52,;15.27,1.86,;12.91,.49,;12.14,-.84,;13.8,-5.53,;14.93,-4.46,;17.04,-6.96,;17.04,-5.43,;18.42,-7.73,;19.82,-7.11,;19.89,-5.56,;20.67,-4.25,;22.22,-4.06,;22.54,-2.56,;21.18,-1.8,;20.01,-2.83,;21.14,-7.82,;21.05,-9.2,;22.54,-7.1,;22.04,-5.64,;23.33,-4.73,;24.61,-5.64,;24.12,-7.1,;25.48,-7.86,;25.48,-9.4,;26.86,-7.11,;28.17,-7.85,;28.07,-9.22,;29.42,-9.91,;29.32,-11.29,;30.62,-12.02,;32.03,-11.39,;32.13,-10.05,;30.8,-9.29,;29.59,-7.23,;30.9,-7.96,;29.66,-5.86,)|
Show InChI InChI=1S/C52H67N13O11/c1-3-29(2)44(48(72)62-39(24-33-26-56-28-58-33)49(73)64-21-9-15-41(64)47(71)63-40(51(75)76)23-30-10-5-4-6-11-30)65-27-32-12-7-13-36(43(32)59-38(50(65)74)22-31-16-18-34(66)19-17-31)60-46(70)37(14-8-20-57-52(54)55)61-45(69)35(53)25-42(67)68/h4-7,10-13,16-19,26,28-29,35,37-41,44,59,66H,3,8-9,14-15,20-25,27,53H2,1-2H3,(H,56,58)(H,60,70)(H,61,69)(H,62,72)(H,63,71)(H,67,68)(H,75,76)(H4,54,55,57)/t29-,35+,37+,38+,39+,40+,41+,44+/m1/s1
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2.60n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251489
PNG
(CHEMBL481089 | butyl 5-isobutyl-3-(4-(isopropylcar...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)NC(C)C
Show InChI InChI=1S/C23H32N2O5S2/c1-6-7-12-30-23(27)25-32(28,29)22-20(14-19(31-22)13-15(2)3)17-8-10-18(11-9-17)21(26)24-16(4)5/h8-11,14-16H,6-7,12-13H2,1-5H3,(H,24,26)(H,25,27)
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2.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50168424
PNG
((3S)-3-amino-3-{[(1S)-1-{[(2S)-4-({[(2S)-1-[(2S)-2...)
Show SMILES N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12
Show InChI InChI=1S/C48H59N13O11/c49-32(22-40(64)65)42(66)58-34(11-5-17-53-48(50)51)43(67)57-33-10-4-9-29-24-60(45(69)35(56-41(29)33)19-28-13-15-31(62)16-14-28)25-39(63)55-36(21-30-23-52-26-54-30)46(70)61-18-6-12-38(61)44(68)59-37(47(71)72)20-27-7-2-1-3-8-27/h1-4,7-10,13-16,23,26,32,34-38,56,62H,5-6,11-12,17-22,24-25,49H2,(H,52,54)(H,55,63)(H,57,67)(H,58,66)(H,59,68)(H,64,65)(H,71,72)(H4,50,51,53)/t32-,34-,35-,36-,37-,38-/m0/s1
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2.80n/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
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50049189
PNG
(3-[4-(2-Ethyl-57-dimethyl-imidazo[45-b]pyridin-3-y...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C30H38N4O4S2/c1-7-9-14-38-30(35)33-40(36,37)29-25(17-24(39-29)15-19(3)4)23-12-10-22(11-13-23)18-34-26(8-2)32-27-20(5)16-21(6)31-28(27)34/h10-13,16-17,19H,7-9,14-15,18H2,1-6H3,(H,33,35)
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2.80n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251488
PNG
(CHEMBL521093 | N-Butoxycarbonyl-3-[4-(N,N-diethylc...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C24H34N2O5S2/c1-6-9-14-31-24(28)25-33(29,30)23-21(16-20(32-23)15-17(4)5)18-10-12-19(13-11-18)22(27)26(7-2)8-3/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,25,28)
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3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50139787
PNG
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S)-4-({[(2S)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1ccc2N[C@@H](Cc3ccc(O)cc3)C(=O)N(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)Cc2c1
Show InChI InChI=1S/C53H68N14O12/c1-29(2)45(65-47(73)38(10-6-18-58-53(55)56)63-46(72)36(54)24-44(70)71)49(75)60-33-14-17-37-32(22-33)26-66(50(76)39(61-37)20-31-12-15-35(68)16-13-31)27-43(69)62-40(23-34-25-57-28-59-34)51(77)67-19-7-11-42(67)48(74)64-41(52(78)79)21-30-8-4-3-5-9-30/h3-5,8-9,12-17,22,25,28-29,36,38-42,45,61,68H,6-7,10-11,18-21,23-24,26-27,54H2,1-2H3,(H,57,59)(H,60,75)(H,62,69)(H,63,72)(H,64,74)(H,65,73)(H,70,71)(H,78,79)(H4,55,56,58)/t36-,38-,39-,40-,41-,42-,45-/m0/s1
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3n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251537
PNG
(CHEMBL479399 | butyl 5-isobutyl-3-(4-(piperidine-1...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C25H34N2O5S2/c1-4-5-15-32-25(29)26-34(30,31)24-22(17-21(33-24)16-18(2)3)19-9-11-20(12-10-19)23(28)27-13-7-6-8-14-27/h9-12,17-18H,4-8,13-16H2,1-3H3,(H,26,29)
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3.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50156172
PNG
(CHEMBL190577 | butyl (5-isobutylthien-2-yl)sulfony...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3ccccc23)cc1
Show InChI InChI=1S/C29H35N3O4S2/c1-5-7-16-36-29(33)31-38(34,35)28-24(18-23(37-28)17-20(3)4)22-14-12-21(13-15-22)19-32-26-11-9-8-10-25(26)30-27(32)6-2/h8-15,18,20H,5-7,16-17,19H2,1-4H3,(H,31,33)
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3.20n/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
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50156168
PNG
(CHEMBL366210 | butyl (5-isobutylthien-2-yl)sulfony...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C27H31N3O4S2/c1-4-5-14-34-27(31)29-36(32,33)26-23(16-22(35-26)15-19(2)3)21-12-10-20(11-13-21)17-30-18-28-24-8-6-7-9-25(24)30/h6-13,16,18-19H,4-5,14-15,17H2,1-3H3,(H,29,31)
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4n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251536
PNG
(CHEMBL517685 | butyl 5-isobutyl-3-(4-(pyrrolidine-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H32N2O5S2/c1-4-5-14-31-24(28)25-33(29,30)23-21(16-20(32-23)15-17(2)3)18-8-10-19(11-9-18)22(27)26-12-6-7-13-26/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,25,28)
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6.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251513
PNG
(CHEMBL520421 | butyl 3-(4-(cyclohexylcarbamoyl)phe...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C26H36N2O5S2/c1-4-5-15-33-26(30)28-35(31,32)25-23(17-22(34-25)16-18(2)3)19-11-13-20(14-12-19)24(29)27-21-9-7-6-8-10-21/h11-14,17-18,21H,4-10,15-16H2,1-3H3,(H,27,29)(H,28,30)
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6.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50221297
PNG
(CHEMBL239393 | N-butyloxycarbonyl-3-[4-(N,N-dimeth...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(CC(=O)N(C)C)cc1
Show InChI InChI=1S/C23H32N2O5S2/c1-6-7-12-30-23(27)24-32(28,29)22-20(15-19(31-22)13-16(2)3)18-10-8-17(9-11-18)14-21(26)25(4)5/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,24,27)
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7n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50156174
PNG
(CHEMBL190811 | butyl (5-isobutylthien-2-yl)sulfony...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2cnc3cccnc23)cc1
Show InChI InChI=1S/C26H30N4O4S2/c1-4-5-13-34-26(31)29-36(32,33)25-22(15-21(35-25)14-18(2)3)20-10-8-19(9-11-20)16-30-17-28-23-7-6-12-27-24(23)30/h6-12,15,17-18H,4-5,13-14,16H2,1-3H3,(H,29,31)
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7.10n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50221309
PNG
(CHEMBL246255 | N-butyloxycarbonyl-3-[4-(N-acetyl-N...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(CN(C)C(C)=O)cc1
Show InChI InChI=1S/C23H32N2O5S2/c1-6-7-12-30-23(27)24-32(28,29)22-21(14-20(31-22)13-16(2)3)19-10-8-18(9-11-19)15-25(5)17(4)26/h8-11,14,16H,6-7,12-13,15H2,1-5H3,(H,24,27)
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8.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50168423
PNG
((3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(2S)-4-({[(2S)-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12
Show InChI InChI=1S/C50H61N11O12/c1-27(2)42(59-44(66)28(3)54-45(67)34(51)22-41(64)65)47(69)57-35-12-7-11-31-24-60(48(70)36(56-43(31)35)19-30-14-16-33(62)17-15-30)25-40(63)55-37(21-32-23-52-26-53-32)49(71)61-18-8-13-39(61)46(68)58-38(50(72)73)20-29-9-5-4-6-10-29/h4-7,9-12,14-17,23,26-28,34,36-39,42,56,62H,8,13,18-22,24-25,51H2,1-3H3,(H,52,53)(H,54,67)(H,55,63)(H,57,69)(H,58,68)(H,59,66)(H,64,65)(H,72,73)/t28-,34-,36-,37-,38-,39-,42-/m0/s1
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9.30n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251490
PNG
(CHEMBL519274 | butyl 3-(4-(cyclopropylcarbamoyl)ph...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C23H30N2O5S2/c1-4-5-12-30-23(27)25-32(28,29)22-20(14-19(31-22)13-15(2)3)16-6-8-17(9-7-16)21(26)24-18-10-11-18/h6-9,14-15,18H,4-5,10-13H2,1-3H3,(H,24,26)(H,25,27)
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10.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251516
PNG
(CHEMBL480341 | butyl 5-isobutyl-3-(4-(thiazol-2-yl...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C23H27N3O5S3/c1-4-5-11-31-23(28)26-34(29,30)21-19(14-18(33-21)13-15(2)3)16-6-8-17(9-7-16)20(27)25-22-24-10-12-32-22/h6-10,12,14-15H,4-5,11,13H2,1-3H3,(H,26,28)(H,24,25,27)
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10.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251515
PNG
(CHEMBL480340 | butyl 3-(4-(benzyl(methyl)carbamoyl...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O5S2/c1-5-6-16-35-28(32)29-37(33,34)27-25(18-24(36-27)17-20(2)3)22-12-14-23(15-13-22)26(31)30(4)19-21-10-8-7-9-11-21/h7-15,18,20H,5-6,16-17,19H2,1-4H3,(H,29,32)
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31.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251487
PNG
(CHEMBL481088 | butyl 3-(4-(dimethylcarbamoyl)pheny...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C22H30N2O5S2/c1-6-7-12-29-22(26)23-31(27,28)21-19(14-18(30-21)13-15(2)3)16-8-10-17(11-9-16)20(25)24(4)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,26)
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36.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50168425
PNG
((3S)-3-amino-3-{[(1S)-1-{[(2S)-4-({[(2S)-1-[(2S)-2...)
Show SMILES C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12
Show InChI InChI=1S/C45H52N10O11/c1-25(49-41(61)31(46)20-38(58)59)40(60)52-32-10-5-9-28-22-54(43(63)33(51-39(28)32)17-27-12-14-30(56)15-13-27)23-37(57)50-34(19-29-21-47-24-48-29)44(64)55-16-6-11-36(55)42(62)53-35(45(65)66)18-26-7-3-2-4-8-26/h2-5,7-10,12-15,21,24-25,31,33-36,51,56H,6,11,16-20,22-23,46H2,1H3,(H,47,48)(H,49,61)(H,50,57)(H,52,60)(H,53,62)(H,58,59)(H,65,66)/t25-,31-,33-,34-,35-,36-/m0/s1
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37.4n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251608
PNG
(CHEMBL480122 | N-Butoxycarbonyl-2-[4-(N,N-diethylc...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(cc1-c1ccc(cc1)C(=O)N(CC)CC)-c1ccccc1
Show InChI InChI=1S/C28H32N2O5S/c1-4-7-19-35-28(32)29-36(33,34)26-18-17-24(21-11-9-8-10-12-21)20-25(26)22-13-15-23(16-14-22)27(31)30(5-2)6-3/h8-18,20H,4-7,19H2,1-3H3,(H,29,32)
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52n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50156175
PNG
(CHEMBL191468 | butyl (5-isobutylthien-2-yl)sulfony...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(CC#N)cc1
Show InChI InChI=1S/C21H26N2O4S2/c1-4-5-12-27-21(24)23-29(25,26)20-19(14-18(28-20)13-15(2)3)17-8-6-16(7-9-17)10-11-22/h6-9,14-15H,4-5,10,12-13H2,1-3H3,(H,23,24)
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70n/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
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251609
PNG
(CHEMBL479367 | butyl N-({2-[4-(diethylcarbamoyl)ph...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1-c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C28H32N2O6S/c1-4-7-19-35-28(32)29-37(33,34)26-18-17-24(36-23-11-9-8-10-12-23)20-25(26)21-13-15-22(16-14-21)27(31)30(5-2)6-3/h8-18,20H,4-7,19H2,1-3H3,(H,29,32)
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91.7n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251464
PNG
(CHEMBL518157 | butyl 3-(4-carbamoylphenyl)-5-isobu...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C20H26N2O5S2/c1-4-5-10-27-20(24)22-29(25,26)19-17(12-16(28-19)11-13(2)3)14-6-8-15(9-7-14)18(21)23/h6-9,12-13H,4-5,10-11H2,1-3H3,(H2,21,23)(H,22,24)
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106n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251567
PNG
(CHEMBL511490 | butyl N-({2-[4-(diethylcarbamoyl)ph...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1cc(CC(C)C)ccc1-c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C26H36N2O5S/c1-6-9-16-33-26(30)27-34(31,32)24-18-20(17-19(4)5)10-15-23(24)21-11-13-22(14-12-21)25(29)28(7-2)8-3/h10-15,18-19H,6-9,16-17H2,1-5H3,(H,27,30)
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122n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251539
PNG
(CHEMBL481294 | butyl N-({2-[4-(diethylcarbamoyl)ph...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C26H36N2O5S/c1-6-9-16-33-26(30)27-34(31,32)24-15-10-20(17-19(4)5)18-23(24)21-11-13-22(14-12-21)25(29)28(7-2)8-3/h10-15,18-19H,6-9,16-17H2,1-5H3,(H,27,30)
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145n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251568
PNG
(CHEMBL481664 | butyl N-({4-benzyl-2-[4-(diethylcar...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(Cc2ccccc2)cc1-c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C29H34N2O5S/c1-4-7-19-36-29(33)30-37(34,35)27-18-13-23(20-22-11-9-8-10-12-22)21-26(27)24-14-16-25(17-15-24)28(32)31(5-2)6-3/h8-18,21H,4-7,19-20H2,1-3H3,(H,30,33)
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163n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251569
PNG
(CHEMBL480506 | butyl N-({5-benzyl-2-[4-(diethylcar...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1cc(Cc2ccccc2)ccc1-c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C29H34N2O5S/c1-4-7-19-36-29(33)30-37(34,35)27-21-23(20-22-11-9-8-10-12-22)13-18-26(27)24-14-16-25(17-15-24)28(32)31(5-2)6-3/h8-18,21H,4-7,19-20H2,1-3H3,(H,30,33)
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300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251538
PNG
(CHEMBL481106 | butyl 5-isobutyl-3-(4-(morpholine-4...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H32N2O6S2/c1-4-5-12-32-24(28)25-34(29,30)23-21(16-20(33-23)15-17(2)3)18-6-8-19(9-7-18)22(27)26-10-13-31-14-11-26/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,28)
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348n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Sus scrofa)
BDBM50251570
PNG
(CHEMBL480507 | butyl N-({2-[4-(diethylcarbamoyl)ph...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C22H28N2O5S/c1-4-7-16-29-22(26)23-30(27,28)20-11-9-8-10-19(20)17-12-14-18(15-13-17)21(25)24(5-2)6-3/h8-15H,4-7,16H2,1-3H3,(H,23,26)
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402n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)
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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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)
BDBM50251516
PNG
(CHEMBL480341 | butyl 5-isobutyl-3-(4-(thiazol-2-yl...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C23H27N3O5S3/c1-4-5-11-31-23(28)26-34(29,30)21-19(14-18(33-21)13-15(2)3)16-6-8-17(9-7-16)20(27)25-22-24-10-12-32-22/h6-10,12,14-15H,4-5,11,13H2,1-3H3,(H,26,28)(H,24,25,27)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)
BDBM50251536
PNG
(CHEMBL517685 | butyl 5-isobutyl-3-(4-(pyrrolidine-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H32N2O5S2/c1-4-5-14-31-24(28)25-33(29,30)23-21(16-20(32-23)15-17(2)3)18-8-10-19(11-9-18)22(27)26-12-6-7-13-26/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))
BDBM50156166
PNG
(CHEMBL190796 | butyl (5-isobutylthien-2-yl)sulfony...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1Cc1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-19(15-21(31-22)13-17(2)3)14-18-6-8-20(9-7-18)26-11-10-24-16-26/h6-11,15-17H,4-5,12-14H2,1-3H3,(H,25,27)
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>1.00E+4n/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
Type-1 angiotensin II receptor A


(RAT)
BDBM50251537
PNG
(CHEMBL479399 | butyl 5-isobutyl-3-(4-(piperidine-1...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C25H34N2O5S2/c1-4-5-15-32-25(29)26-34(30,31)24-22(17-21(33-24)16-18(2)3)19-9-11-20(12-10-19)23(28)27-13-7-6-8-14-27/h9-12,17-18H,4-8,13-16H2,1-3H3,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)
BDBM50251538
PNG
(CHEMBL481106 | butyl 5-isobutyl-3-(4-(morpholine-4...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H32N2O6S2/c1-4-5-12-32-24(28)25-34(29,30)23-21(16-20(33-23)15-17(2)3)18-6-8-19(9-7-18)22(27)26-10-13-31-14-11-26/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125]Ang2 from AT1 receptor in rat liver membrane


Bioorg Med Chem 16: 6841-9 (2008)


Article DOI: 10.1016/j.bmc.2008.05.066
BindingDB Entry DOI: 10.7270/Q22F7N7C
More data for this
Ligand-Target Pair
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