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Articleid 50028953

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280333
PNG
(CHEMBL49207 | [4,4-Diethyl-6-oxo-1-[2'-(1H-tetrazo...)
Show SMILES CCOC(=O)\C=C1/CC(CC)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H31N5O3/c1-4-27(5-2)16-21(15-25(34)35-6-3)32(24(33)17-27)18-19-11-13-20(14-12-19)22-9-7-8-10-23(22)26-28-30-31-29-26/h7-15H,4-6,16-18H2,1-3H3,(H,28,29,30,31)/b21-15+
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280320
PNG
(CHEMBL51084 | [4-Oxo-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCOC(=O)\C=C1/CC2(CCCCC2)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H31N5O3/c1-2-36-26(35)16-22-17-28(14-6-3-7-15-28)18-25(34)33(22)19-20-10-12-21(13-11-20)23-8-4-5-9-24(23)27-29-31-32-30-27/h4-5,8-13,16H,2-3,6-7,14-15,17-19H2,1H3,(H,29,30,31,32)/b22-16+
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280325
PNG
(CHEMBL48459 | [4-Ethyl-6-oxo-4-propyl-1-[2'-(1H-te...)
Show SMILES CCCC1(CC)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)\C(C1)=C\C(=O)OCC
Show InChI InChI=1S/C28H33N5O3/c1-4-15-28(5-2)17-22(16-26(35)36-6-3)33(25(34)18-28)19-20-11-13-21(14-12-20)23-9-7-8-10-24(23)27-29-31-32-30-27/h7-14,16H,4-6,15,17-19H2,1-3H3,(H,29,30,31,32)/b22-16+
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280329
PNG
(CHEMBL50906 | [4-Methyl-6-oxo-4-propyl-1-[2'-(1H-t...)
Show SMILES CCCC1(C)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)\C(C1)=C\C(=O)OCC
Show InChI InChI=1S/C27H31N5O3/c1-4-14-27(3)16-21(15-25(34)35-5-2)32(24(33)17-27)18-19-10-12-20(13-11-19)22-8-6-7-9-23(22)26-28-30-31-29-26/h6-13,15H,4-5,14,16-18H2,1-3H3,(H,28,29,30,31)/b21-15+
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280321
PNG
(CHEMBL296731 | [4-Isopropyl-4-methyl-6-oxo-1-[2'-(...)
Show SMILES CCOC(=O)\C=C1/CC(C)(CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)C
Show InChI InChI=1S/C27H31N5O3/c1-5-35-25(34)14-21-15-27(4,18(2)3)16-24(33)32(21)17-19-10-12-20(13-11-19)22-8-6-7-9-23(22)26-28-30-31-29-26/h6-14,18H,5,15-17H2,1-4H3,(H,28,29,30,31)/b21-14+
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280323
PNG
(CHEMBL51622 | [4-Butyl-4-ethyl-6-oxo-1-[2'-(1H-tet...)
Show SMILES CCCCC1(CC)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)\C(C1)=C\C(=O)OCC
Show InChI InChI=1S/C29H35N5O3/c1-4-7-16-29(5-2)18-23(17-27(36)37-6-3)34(26(35)19-29)20-21-12-14-22(15-13-21)24-10-8-9-11-25(24)28-30-32-33-31-28/h8-15,17H,4-7,16,18-20H2,1-3H3,(H,30,31,32,33)/b23-17+
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280322
PNG
(CHEMBL413098 | [4-Methyl-6-oxo-1-[2'-(1H-tetrazol-...)
Show SMILES CCOC(=O)\C=C1/CC(C)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H25N5O3/c1-3-32-23(31)14-19-12-16(2)13-22(30)29(19)15-17-8-10-18(11-9-17)20-6-4-5-7-21(20)24-25-27-28-26-24/h4-11,14,16H,3,12-13,15H2,1-2H3,(H,25,26,27,28)/b19-14+
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280328
PNG
(CHEMBL418269 | [4,4-Diethyl-6-oxo-1-[2'-(1H-tetraz...)
Show SMILES CCC1(CC)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)\C(C1)=C\C(=O)OC
Show InChI InChI=1S/C26H29N5O3/c1-4-26(5-2)15-20(14-24(33)34-3)31(23(32)16-26)17-18-10-12-19(13-11-18)21-8-6-7-9-22(21)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)/b20-14+
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50049205
PNG
(CHEMBL48602 | RWJ-46458 | [4-Ethyl-4-methyl-6-oxo-...)
Show SMILES CCOC(=O)\C=C1/CC(C)(CC)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H29N5O3/c1-4-26(3)15-20(14-24(33)34-5-2)31(23(32)16-26)17-18-10-12-19(13-11-18)21-8-6-7-9-22(21)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)/b20-14+
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280330
PNG
(CHEMBL51001 | [4-Ethyl-4-methyl-6-oxo-1-[2'-(1H-te...)
Show SMILES CCC1(C)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)\C(C1)=C\C(=O)OC
Show InChI InChI=1S/C25H27N5O3/c1-4-25(2)14-19(13-23(32)33-3)30(22(31)15-25)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)24-26-28-29-27-24/h5-13H,4,14-16H2,1-3H3,(H,26,27,28,29)/b19-13+
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280327
PNG
(CHEMBL295369 | [6-Oxo-4,4-dipropyl-1-[2'-(1H-tetra...)
Show SMILES CCCC1(CCC)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)\C(C1)=C\C(=O)OCC
Show InChI InChI=1S/C29H35N5O3/c1-4-15-29(16-5-2)18-23(17-27(36)37-6-3)34(26(35)19-29)20-21-11-13-22(14-12-21)24-9-7-8-10-25(24)28-30-32-33-31-28/h7-14,17H,4-6,15-16,18-20H2,1-3H3,(H,30,31,32,33)/b23-17+
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H25ClN6O/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/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280319
PNG
(CHEMBL299151 | [4-Butyl-4-methyl-6-oxo-1-[2'-(1H-t...)
Show SMILES CCCCC1(C)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)\C(C1)=C\C(=O)OCC
Show InChI InChI=1S/C28H33N5O3/c1-4-6-15-28(3)17-22(16-26(35)36-5-2)33(25(34)18-28)19-20-11-13-21(14-12-20)23-9-7-8-10-24(23)27-29-31-32-30-27/h7-14,16H,4-6,15,17-19H2,1-3H3,(H,29,30,31,32)/b22-16+
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n/an/a 470n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280331
PNG
(CHEMBL49192 | [9-Oxo-8-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCOC(=O)\C=C1/CC2(CCCC2)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H29N5O3/c1-2-35-25(34)15-21-16-27(13-5-6-14-27)17-24(33)32(21)18-19-9-11-20(12-10-19)22-7-3-4-8-23(22)26-28-30-31-29-26/h3-4,7-12,15H,2,5-6,13-14,16-18H2,1H3,(H,28,29,30,31)/b21-15+
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n/an/a 540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280326
PNG
(CHEMBL51078 | [4-Methyl-6-oxo-4-pentyl-1-[2'-(1H-t...)
Show SMILES CCCCCC1(C)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)\C(C1)=C\C(=O)OCC
Show InChI InChI=1S/C29H35N5O3/c1-4-6-9-16-29(3)18-23(17-27(36)37-5-2)34(26(35)19-29)20-21-12-14-22(15-13-21)24-10-7-8-11-25(24)28-30-32-33-31-28/h7-8,10-15,17H,4-6,9,16,18-20H2,1-3H3,(H,30,31,32,33)/b23-17+
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n/an/a 680n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280332
PNG
(4,4-Diethyl-6-[2-oxo-prop-(E)-ylidene]-1-[2'-(1H-t...)
Show SMILES CCC1(CC)CC(=O)N(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)C(C1)=CC(C)=O
Show InChI InChI=1S/C26H29N5O2/c1-4-26(5-2)15-21(14-18(3)32)31(24(33)16-26)17-19-10-12-20(13-11-19)22-8-6-7-9-23(22)25-27-29-30-28-25/h6-14H,4-5,15-17H2,1-3H3,(H,27,28,29,30)
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50280324
PNG
(CHEMBL49262 | [4,4-Dimethyl-6-oxo-1-[2'-(1H-tetraz...)
Show SMILES CCOC(=O)\C=C1/CC(C)(C)CC(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H27N5O3/c1-4-33-23(32)13-19-14-25(2,3)15-22(31)30(19)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)24-26-28-29-27-24/h5-13H,4,14-16H2,1-3H3,(H,26,27,28,29)/b19-13+
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n/an/a 5.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability of the compound to displace [125I]- labelled [Sar1,Ileu8] from angiotensin II receptor of bovine adrenal cortex membranes


Bioorg Med Chem Lett 2: 1775-1779 (1992)


Article DOI: 10.1016/S0960-894X(00)80474-6
BindingDB Entry DOI: 10.7270/Q2NP24B9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%