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Compile Data Set for Download or QSAR

Found 177 hits from Beijing Institute of Technology   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493576
PNG
(CHEMBL2435828)
Show SMILES CCCc1nc2c(C)cc(NC(=O)CCc3ccccc3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C34H33N3O3/c1-3-9-31-36-33-23(2)20-27(35-32(38)19-16-24-10-5-4-6-11-24)21-30(33)37(31)22-25-14-17-26(18-15-25)28-12-7-8-13-29(28)34(39)40/h4-8,10-15,17-18,20-21H,3,9,16,19,22H2,1-2H3,(H,35,38)(H,39,40)
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n/an/a 0.100n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493578
PNG
(CHEMBL2435824)
Show SMILES CCCC(=O)Nc1cc(C)c2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C29H31N3O3/c1-4-8-26-31-28-19(3)16-22(30-27(33)9-5-2)17-25(28)32(26)18-20-12-14-21(15-13-20)23-10-6-7-11-24(23)29(34)35/h6-7,10-17H,4-5,8-9,18H2,1-3H3,(H,30,33)(H,34,35)
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n/an/a 0.300n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
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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n/an/a 0.330n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT2 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493577
PNG
(CHEMBL2435823)
Show SMILES CCCc1nc2c(C)cc(NC(=O)CC)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C28H29N3O3/c1-4-8-25-30-27-18(3)15-21(29-26(32)5-2)16-24(27)31(25)17-19-11-13-20(14-12-19)22-9-6-7-10-23(22)28(33)34/h6-7,9-16H,4-5,8,17H2,1-3H3,(H,29,32)(H,33,34)
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n/an/a 0.400n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493583
PNG
(CHEMBL2435829)
Show SMILES CCCc1nc2c(C)cc(NC(=O)OC)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C27H27N3O4/c1-4-7-24-29-25-17(2)14-20(28-27(33)34-3)15-23(25)30(24)16-18-10-12-19(13-11-18)21-8-5-6-9-22(21)26(31)32/h5-6,8-15H,4,7,16H2,1-3H3,(H,28,33)(H,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
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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n/an/a 1n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
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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n/an/a 1n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498919
PNG
(CHEMBL3735744)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC[C@H](C)c1ccccc1
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n/an/a 1.10n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493589
PNG
(CHEMBL2435827)
Show SMILES CCCc1nc2c(C)cc(NC(=O)Cc3ccccc3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C33H31N3O3/c1-3-9-30-35-32-22(2)18-26(34-31(37)19-23-10-5-4-6-11-23)20-29(32)36(30)21-24-14-16-25(17-15-24)27-12-7-8-13-28(27)33(38)39/h4-8,10-18,20H,3,9,19,21H2,1-2H3,(H,34,37)(H,38,39)
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n/an/a 1.20n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50363833
PNG
(CHEMBL1945010)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1cc(OC)ccc1OC
Show InChI InChI=1S/C36H37N3O5/c1-5-8-33-38-34-23(2)19-27(35(40)37-18-17-26-20-28(43-3)15-16-32(26)44-4)21-31(34)39(33)22-24-11-13-25(14-12-24)29-9-6-7-10-30(29)36(41)42/h6-7,9-16,19-21H,5,8,17-18,22H2,1-4H3,(H,37,40)(H,41,42)
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n/an/a 1.30n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498908
PNG
(CHEMBL3736514)
Show SMILES CCCSc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC[C@H](C)c1ccccc1
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n/an/a 1.40n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50363826
PNG
(CHEMBL1947129)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1OC
Show InChI InChI=1S/C34H33N3O4/c1-4-9-31-36-32-22(2)18-26(33(38)35-20-25-10-5-8-13-30(25)41-3)19-29(32)37(31)21-23-14-16-24(17-15-23)27-11-6-7-12-28(27)34(39)40/h5-8,10-19H,4,9,20-21H2,1-3H3,(H,35,38)(H,39,40)
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n/an/a 2.40n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498907
PNG
(CHEMBL3736244)
Show SMILES CCCSc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC[C@@H](C)c1ccccc1
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n/an/a 2.70n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493582
PNG
(CHEMBL2435818)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-3-9-31-36-32-23(2)20-27(33(38)35-19-18-24-10-5-4-6-11-24)21-30(32)37(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)34(39)40/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,38)(H,39,40)
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n/an/a 3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498936
PNG
(CHEMBL3735290)
Show SMILES CCOc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC[C@H](C)c1ccccc1
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n/an/a 3.5n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493585
PNG
(CHEMBL2435825)
Show SMILES CCCc1nc2c(C)cc(NC(=O)c3ccccc3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H29N3O3/c1-3-9-29-34-30-21(2)18-25(33-31(36)24-10-5-4-6-11-24)19-28(30)35(29)20-22-14-16-23(17-15-22)26-12-7-8-13-27(26)32(37)38/h4-8,10-19H,3,9,20H2,1-2H3,(H,33,36)(H,37,38)
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n/an/a 3.90n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50363828
PNG
(CHEMBL1947131)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccc(OC)cc1
Show InChI InChI=1S/C34H33N3O4/c1-4-7-31-36-32-22(2)18-26(33(38)35-20-23-12-16-27(41-3)17-13-23)19-30(32)37(31)21-24-10-14-25(15-11-24)28-8-5-6-9-29(28)34(39)40/h5-6,8-19H,4,7,20-21H2,1-3H3,(H,35,38)(H,39,40)
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n/an/a 4.30n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493581
PNG
(CHEMBL2435826)
Show SMILES CCCc1nc2c(C)cc(NC(=O)c3ccc(C)cc3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C33H31N3O3/c1-4-7-30-35-31-22(3)18-26(34-32(37)25-14-10-21(2)11-15-25)19-29(31)36(30)20-23-12-16-24(17-13-23)27-8-5-6-9-28(27)33(38)39/h5-6,8-19H,4,7,20H2,1-3H3,(H,34,37)(H,38,39)
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n/an/a 4.90n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498943
PNG
(CHEMBL3735409)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC[C@@H](C)c1ccccc1
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n/an/a 5n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493585
PNG
(CHEMBL2435825)
Show SMILES CCCc1nc2c(C)cc(NC(=O)c3ccccc3)cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C32H29N3O3/c1-3-9-29-34-30-21(2)18-25(33-31(36)24-10-5-4-6-11-24)19-28(30)35(29)20-22-14-16-23(17-15-22)26-12-7-8-13-27(26)32(37)38/h4-8,10-19H,3,9,20H2,1-2H3,(H,33,36)(H,37,38)
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n/an/a 6n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT2 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498931
PNG
(CHEMBL3734891)
Show SMILES CCOc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NC[C@@H](C)c1ccccc1
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n/an/a 6.30n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498942
PNG
(CHEMBL3736440)
Show SMILES CCOc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC[C@H](C)c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-4-41-34-36-31-22(2)18-27(32(38)35-20-23(3)25-10-6-5-7-11-25)19-30(31)37(34)21-24-14-16-26(17-15-24)28-12-8-9-13-29(28)33(39)40/h5-19,23H,4,20-21H2,1-3H3,(H,35,38)(H,39,40)/t23-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493588
PNG
(CHEMBL2435821)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C33H38N4O4/c1-3-7-30-35-31-23(2)20-26(32(38)34-14-6-15-36-16-18-41-19-17-36)21-29(31)37(30)22-24-10-12-25(13-11-24)27-8-4-5-9-28(27)33(39)40/h4-5,8-13,20-21H,3,6-7,14-19,22H2,1-2H3,(H,34,38)(H,39,40)
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n/an/a 10n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493580
PNG
(CHEMBL2435819)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C32H36N4O4/c1-3-6-29-34-30-22(2)19-25(31(37)33-13-14-35-15-17-40-18-16-35)20-28(30)36(29)21-23-9-11-24(12-10-23)26-7-4-5-8-27(26)32(38)39/h4-5,7-12,19-20H,3,6,13-18,21H2,1-2H3,(H,33,37)(H,38,39)
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n/an/a 11n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493575
PNG
(CHEMBL2435831)
Show SMILES CCCCNC(=O)c1cc(C)c2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C30H33N3O3/c1-4-6-16-31-29(34)23-17-20(3)28-26(18-23)33(27(32-28)9-5-2)19-21-12-14-22(15-13-21)24-10-7-8-11-25(24)30(35)36/h7-8,10-15,17-18H,4-6,9,16,19H2,1-3H3,(H,31,34)(H,35,36)
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n/an/a 13n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 16n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 16.2n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50388737
PNG
(CHEMBL2058860)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCC(C)c1ccccc1
Show InChI InChI=1/C35H35N7O/c1-4-10-32-37-33-23(2)19-28(35(43)36-21-24(3)26-11-6-5-7-12-26)20-31(33)42(32)22-25-15-17-27(18-16-25)29-13-8-9-14-30(29)34-38-40-41-39-34/h5-9,11-20,24H,4,10,21-22H2,1-3H3,(H,36,43)(H,38,39,40,41)
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n/an/a 17n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493579
PNG
(CHEMBL2435833)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C31H33N3O3/c1-3-9-28-32-29-21(2)18-24(30(35)33-16-7-4-8-17-33)19-27(29)34(28)20-22-12-14-23(15-13-22)25-10-5-6-11-26(25)31(36)37/h5-6,10-15,18-19H,3-4,7-9,16-17,20H2,1-2H3,(H,36,37)
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n/an/a 20n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50498624
PNG
(CHEMBL3609180)
Show SMILES OC(=O)Cn1c2ccc(F)cc2nc(Oc2ccc(O)cc2)c1=O
Show InChI InChI=1S/C16H11FN2O5/c17-9-1-6-13-12(7-9)18-15(16(23)19(13)8-14(21)22)24-11-4-2-10(20)3-5-11/h1-7,20H,8H2,(H,21,22)
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n/an/a 20n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat ALR2 using D,L-glyceraldehyde as substrate assessed as oxidation of NADPH preincubated for 10 mins followed by substrate add...


Bioorg Med Chem Lett 25: 3924-7 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498930
PNG
(CHEMBL3736295)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-4-10-31-36-32-22(2)19-27(33(38)35-23(3)25-11-6-5-7-12-25)20-30(32)37(31)21-24-15-17-26(18-16-24)28-13-8-9-14-29(28)34(39)40/h5-9,11-20,23H,4,10,21H2,1-3H3,(H,35,38)(H,39,40)/t23-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493582
PNG
(CHEMBL2435818)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H33N3O3/c1-3-9-31-36-32-23(2)20-27(33(38)35-19-18-24-10-5-4-6-11-24)21-30(32)37(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)34(39)40/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,38)(H,39,40)
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n/an/a 23n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498920
PNG
(CHEMBL3735588)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC[C@H](C)c1ccccc1
Show InChI InChI=1S/C35H35N3O3/c1-4-10-32-37-33-23(2)19-28(34(39)36-21-24(3)26-11-6-5-7-12-26)20-31(33)38(32)22-25-15-17-27(18-16-25)29-13-8-9-14-30(29)35(40)41/h5-9,11-20,24H,4,10,21-22H2,1-3H3,(H,36,39)(H,40,41)/t24-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM16512
PNG
((2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-be...)
Show SMILES NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
Show InChI InChI=1/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/s2
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n/an/a 29n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 by spectrophotometric analysis


Eur J Med Chem 46: 1536-44 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin II receptor


(Homo sapiens (Human))
BDBM82258
PNG
(CAS_114798-26-4 | Losartan | NSC_3961)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 29n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50363829
PNG
(CHEMBL1945006)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C35H35N3O5/c1-5-8-32-37-33-22(2)17-26(34(39)36-20-24-13-16-30(42-3)31(18-24)43-4)19-29(33)38(32)21-23-11-14-25(15-12-23)27-9-6-7-10-28(27)35(40)41/h6-7,9-19H,5,8,20-21H2,1-4H3,(H,36,39)(H,40,41)
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n/an/a 30.6n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50363830
PNG
(CHEMBL1945007)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1cccc(OC)c1
Show InChI InChI=1S/C35H35N3O4/c1-4-8-32-37-33-23(2)19-27(34(39)36-18-17-24-9-7-10-28(20-24)42-3)21-31(33)38(32)22-25-13-15-26(16-14-25)29-11-5-6-12-30(29)35(40)41/h5-7,9-16,19-21H,4,8,17-18,22H2,1-3H3,(H,36,39)(H,40,41)
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n/an/a 30.8n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50483835
PNG
(CHEMBL1774240)
Show SMILES OC(=O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2cc(Cl)cnc12
Show InChI InChI=1S/C15H11ClF3N3O4S/c16-9-2-13-15(20-4-9)21(6-14(23)24)7-22(27(13,25)26)5-8-1-11(18)12(19)3-10(8)17/h1-4H,5-7H2,(H,23,24)
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n/an/a 38n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 by spectrophotometric analysis


Eur J Med Chem 46: 1536-44 (2011)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498922
PNG
(CHEMBL3735769)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)N[C@@H](COC)c1ccccc1
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n/an/a 39n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493587
PNG
(CHEMBL2435834)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C33H31N3O3/c1-4-7-30-35-31-22(3)18-25(32(37)34-26-16-10-21(2)11-17-26)19-29(31)36(30)20-23-12-14-24(15-13-23)27-8-5-6-9-28(27)33(38)39/h5-6,8-19H,4,7,20H2,1-3H3,(H,34,37)(H,38,39)
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n/an/a 39n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT1 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498921
PNG
(CHEMBL3735652)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC[C@@H](C)c1ccccc1
Show InChI InChI=1S/C35H35N3O3/c1-4-10-32-37-33-23(2)19-28(34(39)36-21-24(3)26-11-6-5-7-12-26)20-31(33)38(32)22-25-15-17-27(18-16-25)29-13-8-9-14-30(29)35(40)41/h5-9,11-20,24H,4,10,21-22H2,1-3H3,(H,36,39)(H,40,41)/t24-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493579
PNG
(CHEMBL2435833)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C31H33N3O3/c1-3-9-28-32-29-21(2)18-24(30(35)33-16-7-4-8-17-33)19-27(29)34(28)20-22-12-14-23(15-13-22)25-10-5-6-11-26(25)31(36)37/h5-6,10-15,18-19H,3-4,7-9,16-17,20H2,1-2H3,(H,36,37)
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n/an/a 42n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT2 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50483842
PNG
(CHEMBL1774237)
Show SMILES OC(=O)CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2cc(Cl)cnc12
Show InChI InChI=1S/C15H12BrClFN3O4S/c16-10-2-1-9(12(18)3-10)6-21-8-20(7-14(22)23)15-13(26(21,24)25)4-11(17)5-19-15/h1-5H,6-8H2,(H,22,23)
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n/an/a 44n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat lens aldose reductase 2 by spectrophotometric analysis


Eur J Med Chem 46: 1536-44 (2011)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50363825
PNG
(CHEMBL1947128)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C33H31N3O3/c1-3-9-30-35-31-22(2)18-26(32(37)34-20-23-10-5-4-6-11-23)19-29(31)36(30)21-24-14-16-25(17-15-24)27-12-7-8-13-28(27)33(38)39/h4-8,10-19H,3,9,20-21H2,1-2H3,(H,34,37)(H,38,39)
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n/an/a 52.5n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493578
PNG
(CHEMBL2435824)
Show SMILES CCCC(=O)Nc1cc(C)c2nc(CCC)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C29H31N3O3/c1-4-8-26-31-28-19(3)16-22(30-27(33)9-5-2)17-25(28)32(26)18-20-12-14-21(15-13-20)23-10-6-7-11-24(23)29(34)35/h6-7,10-17H,4-5,8-9,18H2,1-3H3,(H,30,33)(H,34,35)
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n/an/a 53n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT2 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498938
PNG
(CHEMBL3736451)
Show SMILES CCOc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC[C@@H](C)c1ccccc1
Show InChI InChI=1S/C34H33N3O4/c1-4-41-34-36-31-22(2)18-27(32(38)35-20-23(3)25-10-6-5-7-11-25)19-30(31)37(34)21-24-14-16-26(17-15-24)28-12-8-9-13-29(28)33(39)40/h5-19,23H,4,20-21H2,1-3H3,(H,35,38)(H,39,40)/t23-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50363832
PNG
(CHEMBL1945009)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C36H37N3O5/c1-5-8-33-38-34-23(2)19-27(35(40)37-18-17-24-13-16-31(43-3)32(20-24)44-4)21-30(34)39(33)22-25-11-14-26(15-12-25)28-9-6-7-10-29(28)36(41)42/h6-7,9-16,19-21H,5,8,17-18,22H2,1-4H3,(H,37,40)(H,41,42)
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n/an/a 57.6n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 mins by gamma counting


Eur J Med Chem 49: 183-90 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.009
BindingDB Entry DOI: 10.7270/Q29K4BPW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50498925
PNG
(CHEMBL3736319)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)N[C@H](COC)c1ccccc1
Show InChI InChI=1S/C35H35N3O4/c1-4-10-32-37-33-23(2)19-27(34(39)36-30(22-42-3)26-11-6-5-7-12-26)20-31(33)38(32)21-24-15-17-25(18-16-24)28-13-8-9-14-29(28)35(40)41/h5-9,11-20,30H,4,10,21-22H2,1-3H3,(H,36,39)(H,40,41)/t30-/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]Sar1Ile8-Ang2 from human AT1 receptor expressed in CHO-K1 cell membranes after 180 mins


Eur J Med Chem 103: 473-87 (2015)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50235163
PNG
(CHEMBL4077171)
Show SMILES COc1ccc2nc(\C=C\c3ccc(O)cc3)c(=O)n(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16N2O5/c1-26-14-7-9-15-17(10-14)21(11-18(23)24)19(25)16(20-15)8-4-12-2-5-13(22)6-3-12/h2-10,22H,11H2,1H3,(H,23,24)/b8-4+
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n/an/a 59n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate assessed as decrease in NADPH oxidation preincubated for 10 mins followed by substr...


Bioorg Med Chem Lett 27: 887-892 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.006
BindingDB Entry DOI: 10.7270/Q26975T2
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50493587
PNG
(CHEMBL2435834)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C33H31N3O3/c1-4-7-30-35-31-22(3)18-25(32(37)34-26-16-10-21(2)11-17-26)19-29(31)36(30)20-23-12-14-24(15-13-23)27-8-5-6-9-28(27)33(38)39/h5-6,8-19H,4,7,20H2,1-3H3,(H,34,37)(H,38,39)
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n/an/a 61n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Displacement of [125I]-Sar1Ile8-angiotensin 2 from angiotensin 2 AT2 receptor (unknown origin) after 180 mins by gamma counting analysis


Eur J Med Chem 69: 44-54 (2013)

More data for this
Ligand-Target Pair
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