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Compile Data Set for Download or QSAR

Found 44 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


(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))
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))
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))
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))
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))
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))
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
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))
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))
BDBM50363834
PNG
(CHEMBL1945148)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccccc1F
Show InChI InChI=1S/C34H32FN3O3/c1-3-8-31-37-32-22(2)19-26(33(39)36-18-17-25-9-4-7-12-29(25)35)20-30(32)38(31)21-23-13-15-24(16-14-23)27-10-5-6-11-28(27)34(40)41/h4-7,9-16,19-20H,3,8,17-18,21H2,1-2H3,(H,36,39)(H,40,41)
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n/an/a 106n/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)
BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 130n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50363835
PNG
(CHEMBL1945149)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C34H32FN3O3/c1-3-6-31-37-32-22(2)19-26(33(39)36-18-17-23-11-15-27(35)16-12-23)20-30(32)38(31)21-24-9-13-25(14-10-24)28-7-4-5-8-29(28)34(40)41/h4-5,7-16,19-20H,3,6,17-18,21H2,1-2H3,(H,36,39)(H,40,41)
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n/an/a 198n/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))
BDBM50363831
PNG
(CHEMBL1945008)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccc(OC)cc1
Show InChI InChI=1S/C35H35N3O4/c1-4-7-32-37-33-23(2)20-27(34(39)36-19-18-24-12-16-28(42-3)17-13-24)21-31(33)38(32)22-25-10-14-26(15-11-25)29-8-5-6-9-30(29)35(40)41/h5-6,8-17,20-21H,4,7,18-19,22H2,1-3H3,(H,36,39)(H,40,41)
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n/an/a 214n/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))
BDBM50363827
PNG
(CHEMBL1947130)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C34H33N3O4/c1-4-8-31-36-32-22(2)17-26(33(38)35-20-24-9-7-10-27(18-24)41-3)19-30(32)37(31)21-23-13-15-25(16-14-23)28-11-5-6-12-29(28)34(39)40/h5-7,9-19H,4,8,20-21H2,1-3H3,(H,35,38)(H,39,40)
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n/an/a 326n/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


(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 1.10E+3n/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


(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 1.20E+3n/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


(HUMAN)
BDBM50363835
PNG
(CHEMBL1945149)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C34H32FN3O3/c1-3-6-31-37-32-22(2)19-26(33(39)36-18-17-23-11-15-27(35)16-12-23)20-30(32)38(31)21-24-9-13-25(14-10-24)28-7-4-5-8-29(28)34(40)41/h4-5,7-16,19-20H,3,6,17-18,21H2,1-2H3,(H,36,39)(H,40,41)
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n/an/a 1.30E+3n/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


(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 1.40E+3n/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


(HUMAN)
BDBM50363831
PNG
(CHEMBL1945008)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1ccc(OC)cc1
Show InChI InChI=1S/C35H35N3O4/c1-4-7-32-37-33-23(2)20-27(34(39)36-19-18-24-12-16-28(42-3)17-13-24)21-31(33)38(32)22-25-10-14-26(15-11-25)29-8-5-6-9-30(29)35(40)41/h5-6,8-17,20-21H,4,7,18-19,22H2,1-3H3,(H,36,39)(H,40,41)
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n/an/a 1.50E+3n/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
Aldose reductase


(Rattus norvegicus)
BDBM50168016
PNG
(CHEMBL3800168)
Show SMILES COc1ccc(F)c(CN2CN(CC(O)=O)c3ccc(Br)cc3S2(=O)=O)c1
Show InChI InChI=1S/C17H16BrFN2O5S/c1-26-13-3-4-14(19)11(6-13)8-21-10-20(9-17(22)23)15-5-2-12(18)7-16(15)27(21,24)25/h2-7H,8-10H2,1H3,(H,22,23)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50168017
PNG
(CHEMBL3800289)
Show SMILES COc1ccc(F)c(CN2CN(CC(O)=O)c3ccc(C)cc3S2(=O)=O)c1
Show InChI InChI=1S/C18H19FN2O5S/c1-12-3-6-16-17(7-12)27(24,25)21(11-20(16)10-18(22)23)9-13-8-14(26-2)4-5-15(13)19/h3-8H,9-11H2,1-2H3,(H,22,23)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Angiotensin II receptor


(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 3.60E+3n/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
Aldose reductase


(Rattus norvegicus)
BDBM50168015
PNG
(CHEMBL3797751)
Show SMILES Cc1ccc2N(CC(O)=O)CN(Cc3cc(O)ccc3F)S(=O)(=O)c2c1
Show InChI InChI=1S/C17H17FN2O5S/c1-11-2-5-15-16(6-11)26(24,25)20(10-19(15)9-17(22)23)8-12-7-13(21)3-4-14(12)18/h2-7,21H,8-10H2,1H3,(H,22,23)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50168004
PNG
(CHEMBL3800512)
Show SMILES Cc1ccc2N(CC(O)=O)CN(Cc3ccc(O)cc3)S(=O)(=O)c2c1
Show InChI InChI=1S/C17H18N2O5S/c1-12-2-7-15-16(8-12)25(23,24)19(11-18(15)10-17(21)22)9-13-3-5-14(20)6-4-13/h2-8,20H,9-11H2,1H3,(H,21,22)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50168013
PNG
(CHEMBL3797906)
Show SMILES COc1ccc(CN2CN(CC(O)=O)c3ccc(Br)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C17H17BrN2O5S/c1-25-14-5-2-12(3-6-14)9-20-11-19(10-17(21)22)15-7-4-13(18)8-16(15)26(20,23)24/h2-8H,9-11H2,1H3,(H,21,22)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50168012
PNG
(CHEMBL3797329)
Show SMILES COc1ccc(CN2CN(CC(O)=O)c3ccc(Cl)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C17H17ClN2O5S/c1-25-14-5-2-12(3-6-14)9-20-11-19(10-17(21)22)15-7-4-13(18)8-16(15)26(20,23)24/h2-8H,9-11H2,1H3,(H,21,22)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50167991
PNG
(CHEMBL3799696)
Show SMILES OC(=O)CN1CN(Cc2ccc(O)cc2)S(=O)(=O)c2cc(O)ccc12
Show InChI InChI=1S/C16H16N2O6S/c19-12-3-1-11(2-4-12)8-18-10-17(9-16(21)22)14-6-5-13(20)7-15(14)25(18,23)24/h1-7,19-20H,8-10H2,(H,21,22)
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n/an/a 7.60E+3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50167989
PNG
(CHEMBL3798264)
Show SMILES OC(=O)CN1CN(Cc2ccccc2)S(=O)(=O)c2cc(O)ccc12
Show InChI InChI=1S/C16H16N2O5S/c19-13-6-7-14-15(8-13)24(22,23)18(11-17(14)10-16(20)21)9-12-4-2-1-3-5-12/h1-8,19H,9-11H2,(H,20,21)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50359496
PNG
(CHEMBL1927018)
Show SMILES OC(=O)\C=C1/CN(Cc2cccc(c2)[N+]([O-])=O)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C17H14N2O6S/c20-17(21)9-13-11-18(10-12-4-3-5-14(8-12)19(22)23)26(24,25)16-7-2-1-6-15(13)16/h1-9H,10-11H2,(H,20,21)/b13-9+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat kidney ALR1 using D-glucuronate as substrate after 10 mins by UV/VIS double spectrophotometric analysis


Bioorg Med Chem 19: 7262-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.051
BindingDB Entry DOI: 10.7270/Q2BZ66FZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(HUMAN)
BDBM50363827
PNG
(CHEMBL1947130)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C34H33N3O4/c1-4-8-31-36-32-22(2)17-26(33(38)35-20-24-9-7-10-27(18-24)41-3)19-30(32)37(31)21-23-13-15-25(16-14-23)28-11-5-6-12-29(28)34(39)40/h5-7,9-19H,4,8,20-21H2,1-3H3,(H,35,38)(H,39,40)
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n/an/a>1.00E+4n/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
Aldose reductase


(Rattus norvegicus)
BDBM50359495
PNG
(CHEMBL1927017)
Show SMILES OC(=O)\C=C1/CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C17H13BrFNO4S/c18-13-6-5-11(15(19)8-13)9-20-10-12(7-17(21)22)14-3-1-2-4-16(14)25(20,23)24/h1-8H,9-10H2,(H,21,22)/b12-7+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat kidney ALR1 using D-glucuronate as substrate after 10 mins by UV/VIS double spectrophotometric analysis


Bioorg Med Chem 19: 7262-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.051
BindingDB Entry DOI: 10.7270/Q2BZ66FZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(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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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


(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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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
Aldose reductase


(Rattus norvegicus)
BDBM50359494
PNG
(CHEMBL1927014)
Show SMILES OC(=O)\C=C1/CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C17H12F3NO4S/c18-13-7-15(20)14(19)5-11(13)9-21-8-10(6-17(22)23)12-3-1-2-4-16(12)26(21,24)25/h1-7H,8-9H2,(H,22,23)/b10-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat kidney ALR1 using D-glucuronate as substrate after 10 mins by UV/VIS double spectrophotometric analysis


Bioorg Med Chem 19: 7262-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.051
BindingDB Entry DOI: 10.7270/Q2BZ66FZ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(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>1.00E+4n/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
Aldose reductase


(Rattus norvegicus)
BDBM50359497
PNG
(CHEMBL1927020)
Show SMILES OC(=O)CC1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C17H14F3NO4S/c18-13-7-15(20)14(19)5-11(13)9-21-8-10(6-17(22)23)12-3-1-2-4-16(12)26(21,24)25/h1-5,7,10H,6,8-9H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat kidney ALR1 using D-glucuronate as substrate after 10 mins by UV/VIS double spectrophotometric analysis


Bioorg Med Chem 19: 7262-9 (2011)


Article DOI: 10.1016/j.bmc.2011.07.051
BindingDB Entry DOI: 10.7270/Q2BZ66FZ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50167992
PNG
(CHEMBL3797244)
Show SMILES COc1ccc(CN2CN(CC(O)=O)c3ccc(OC)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C18H20N2O6S/c1-25-14-5-3-13(4-6-14)10-20-12-19(11-18(21)22)16-8-7-15(26-2)9-17(16)27(20,23)24/h3-9H,10-12H2,1-2H3,(H,21,22)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50167990
PNG
(CHEMBL3797615)
Show SMILES COc1ccc2N(CC(O)=O)CN(Cc3ccccc3)S(=O)(=O)c2c1
Show InChI InChI=1S/C17H18N2O5S/c1-24-14-7-8-15-16(9-14)25(22,23)19(12-18(15)11-17(20)21)10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,20,21)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50168014
PNG
(CHEMBL3798923)
Show SMILES COc1ccc(CN2CN(CC(O)=O)c3ccc(C)cc3S2(=O)=O)cc1
Show InChI InChI=1S/C18H20N2O5S/c1-13-3-8-16-17(9-13)26(23,24)20(12-19(16)11-18(21)22)10-14-4-6-15(25-2)7-5-14/h3-9H,10-12H2,1-2H3,(H,21,22)
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n/an/a 1.82E+4n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ALR2 from rat lens using D,L-glyceraldehyde as substrate measured as absorption of NADPH for 4 mins by UV/vis spectrophotmetry


Bioorg Med Chem Lett 26: 2880-2885 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.047
BindingDB Entry DOI: 10.7270/Q2154JXW
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 3.16n/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin 2 AT1 receptor in Japanese White rabbits thoracic aorta assessed as inhibition of KCl-indcuced contraction after 6...


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 type 1a (AT-1a) receptor


(RABBIT)
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/an/a 12.6n/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin 2 AT1 receptor in Japanese White rabbits thoracic aorta assessed as inhibition of KCl-indcuced contraction after 6...


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 type 1a (AT-1a) receptor


(RABBIT)
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/an/a 6.92n/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin 2 AT1 receptor in Japanese White rabbits thoracic aorta assessed as inhibition of KCl-indcuced contraction after 6...


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 type 1a (AT-1a) receptor


(RABBIT)
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/an/a 4.79n/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin 2 AT1 receptor in Japanese White rabbits thoracic aorta assessed as inhibition of KCl-indcuced contraction after 6...


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