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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50018822   
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


(RAT)
BDBM50199311
PNG
(CHEMBL215160 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(OCCCC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O5S/c1-3-5-15-32-22-11-12-24(34(30,31)27-25(29)33-16-6-4-2)23(17-22)21-9-7-20(8-10-21)18-28-14-13-26-19-28/h7-14,17,19H,3-6,15-16,18H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199319
PNG
(CHEMBL217084 | N-(4,4,4-triflouro-butyloxycarbonyl...)
Show SMILES CC(C)Cc1cc(c(s1)S(=O)(=O)NC(=O)OCCCC(F)(F)F)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H26F3N3O4S2/c1-16(2)12-19-13-20(18-6-4-17(5-7-18)14-29-10-9-27-15-29)21(34-19)35(31,32)28-22(30)33-11-3-8-23(24,25)26/h4-7,9-10,13,15-16H,3,8,11-12,14H2,1-2H3,(H,28,30)
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199314
PNG
(CHEMBL217208 | N-butylcarbonyl-3-(4-imidazol-1-ylm...)
Show SMILES CCCCC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O3S2/c1-4-5-6-22(27)25-31(28,29)23-21(14-20(30-23)13-17(2)3)19-9-7-18(8-10-19)15-26-12-11-24-16-26/h7-12,14,16-17H,4-6,13,15H2,1-3H3,(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 [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199313
PNG
(CHEMBL216515 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(OC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C24H29N3O5S/c1-4-5-14-31-24(28)26-33(29,30)23-11-10-21(32-18(2)3)15-22(23)20-8-6-19(7-9-20)16-27-13-12-25-17-27/h6-13,15,17-18H,4-5,14,16H2,1-3H3,(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199315
PNG
(CHEMBL384577 | N-iso-Butyloxycarbonyl-3-(4-imidazo...)
Show SMILES CC(C)COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-16(2)11-20-12-21(19-7-5-18(6-8-19)13-26-10-9-24-15-26)22(31-20)32(28,29)25-23(27)30-14-17(3)4/h5-10,12,15-17H,11,13-14H2,1-4H3,(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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199320
PNG
(CHEMBL385714 | N-butylsulfonyl-3-(4-imidazol-1-ylm...)
Show SMILES CCCCS(=O)(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C22H29N3O4S3/c1-4-5-12-31(26,27)24-32(28,29)22-21(14-20(30-22)13-17(2)3)19-8-6-18(7-9-19)15-25-11-10-23-16-25/h6-11,14,16-17,24H,4-5,12-13,15H2,1-3H3
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199322
PNG
(CHEMBL386718 | N-butylsulfonyl-3-(4-imidazol-1-ylm...)
Show SMILES CCCCS(=O)(=O)NC(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O3S2/c1-4-5-12-31(28,29)25-23(27)22-21(14-20(30-22)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 [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199325
PNG
(CHEMBL216361 | N-butylaminocarbonyl-3-(4-imidazol-...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H30N4O3S2/c1-4-5-10-25-23(28)26-32(29,30)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-27-12-11-24-16-27/h6-9,11-12,14,16-17H,4-5,10,13,15H2,1-3H3,(H2,25,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199323
PNG
(CHEMBL214671 | N-butyloxycarbonyl-3-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(Cc2cccc(OC)c2)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C27H29N3O5S2/c1-3-4-14-35-27(31)29-37(32,33)26-25(17-24(36-26)16-21-6-5-7-23(15-21)34-2)22-10-8-20(9-11-22)18-30-13-12-28-19-30/h5-13,15,17,19H,3-4,14,16,18H2,1-2H3,(H,29,31)
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199327
PNG
(CHEMBL386671 | N-tert-butyloxycarbonyl-3-(4-imidaz...)
Show SMILES CC(C)Cc1cc(c(s1)S(=O)(=O)NC(=O)OC(C)(C)C)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-16(2)12-19-13-20(18-8-6-17(7-9-18)14-26-11-10-24-15-26)21(31-19)32(28,29)25-22(27)30-23(3,4)5/h6-11,13,15-16H,12,14H2,1-5H3,(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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199329
PNG
(5-[3-(4-imidazol-1-ylmethylphenyl)-5-iso-butylthio...)
Show SMILES CC(C)Cc1cc(c(s1)-c1nnn[nH]1)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C19H20N6S/c1-13(2)9-16-10-17(18(26-16)19-21-23-24-22-19)15-5-3-14(4-6-15)11-25-8-7-20-12-25/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23,24)
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199316
PNG
(CHEMBL386269 | N-ethyloxycarbonyl-3-(4-imidazol-1-...)
Show SMILES CCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C21H25N3O4S2/c1-4-28-21(25)23-30(26,27)20-19(12-18(29-20)11-15(2)3)17-7-5-16(6-8-17)13-24-10-9-22-14-24/h5-10,12,14-15H,4,11,13H2,1-3H3,(H,23,25)
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199317
PNG
(CHEMBL214525 | N-ethyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCc1ccc(c(c1)-c1ccc(Cn2ccnc2)cc1)S(=O)(=O)NC(=O)OCC
Show InChI InChI=1S/C23H27N3O4S/c1-3-5-6-18-9-12-22(31(28,29)25-23(27)30-4-2)21(15-18)20-10-7-19(8-11-20)16-26-14-13-24-17-26/h7-15,17H,3-6,16H2,1-2H3,(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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199331
PNG
(CHEMBL216250 | N-(1-butyloxy-methylcarbonyl)-3-(4-...)
Show SMILES CCCCOCC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C24H31N3O4S2/c1-4-5-12-31-16-23(28)26-33(29,30)24-22(14-21(32-24)13-18(2)3)20-8-6-19(7-9-20)15-27-11-10-25-17-27/h6-11,14,17-18H,4-5,12-13,15-16H2,1-3H3,(H,26,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199332
PNG
(CHEMBL216688 | N-butyloxycarbonyl-3-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CCC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C22H27N3O4S2/c1-3-5-13-29-22(26)24-31(27,28)21-20(14-19(30-21)6-4-2)18-9-7-17(8-10-18)15-25-12-11-23-16-25/h7-12,14,16H,3-6,13,15H2,1-2H3,(H,24,26)
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


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



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199330
PNG
(CHEMBL217752 | N-butyloxycarbonyl-3-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CCOC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C22H27N3O5S2/c1-3-4-12-30-22(26)24-32(27,28)21-20(14-19(31-21)9-13-29-2)18-7-5-17(6-8-18)15-25-11-10-23-16-25/h5-8,10-11,14,16H,3-4,9,12-13,15H2,1-2H3,(H,24,26)
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199328
PNG
(CHEMBL386172 | N-(methyloxy-ethyloxycarbonyl)-3-(4...)
Show SMILES COCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C22H27N3O5S2/c1-16(2)12-19-13-20(18-6-4-17(5-7-18)14-25-9-8-23-15-25)21(31-19)32(27,28)24-22(26)30-11-10-29-3/h4-9,13,15-16H,10-12,14H2,1-3H3,(H,24,26)
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199324
PNG
(CHEMBL215159 | N-iso-propyloxycarbonyl-3-(4-imidaz...)
Show SMILES CC(C)Cc1cc(c(s1)S(=O)(=O)NC(=O)OC(C)C)-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C22H27N3O4S2/c1-15(2)11-19-12-20(21(30-19)31(27,28)24-22(26)29-16(3)4)18-7-5-17(6-8-18)13-25-10-9-23-14-25/h5-10,12,14-16H,11,13H2,1-4H3,(H,24,26)
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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]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199321
PNG
(CHEMBL214592 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CCCC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-3-5-7-20-10-13-24(33(30,31)27-25(29)32-16-6-4-2)23(17-20)22-11-8-21(9-12-22)18-28-15-14-26-19-28/h8-15,17,19H,3-7,16,18H2,1-2H3,(H,27,29)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199318
PNG
(CHEMBL384462 | N-(N-butyl-methylaminocarbonyl)-3-(...)
Show SMILES CCCCN(C)C(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C24H32N4O3S2/c1-5-6-12-27(4)24(29)26-33(30,31)23-22(15-21(32-23)14-18(2)3)20-9-7-19(8-10-20)16-28-13-11-25-17-28/h7-11,13,15,17-18H,5-6,12,14,16H2,1-4H3,(H,26,29)
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50199312
PNG
(CHEMBL217249 | N-butyloxycarbonyl-3-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CCCC)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-3-5-7-20-15-21(19-10-8-18(9-11-19)16-26-13-12-24-17-26)22(31-20)32(28,29)25-23(27)30-14-6-4-2/h8-13,15,17H,3-7,14,16H2,1-2H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane


J Med Chem 49: 7160-8 (2006)


Article DOI: 10.1021/jm0606185
BindingDB Entry DOI: 10.7270/Q21C1WHK
More data for this
Ligand-Target Pair