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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50029500   
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)
BDBM50285002
PNG
(2-Ethylamino-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]oxadi...)
Show SMILES CCNc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C25H21N5O4/c1-2-26-24-27-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-28-25(33)34-29-22/h3-13H,2,14H2,1H3,(H,26,27)(H,31,32)(H,28,29,33)
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
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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TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50284996
PNG
(2-Methylamino-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]oxad...)
Show SMILES CNc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H19N5O4/c1-25-23-26-19-8-4-7-18(22(30)31)20(19)29(23)13-14-9-11-15(12-10-14)16-5-2-3-6-17(16)21-27-24(32)33-28-21/h2-12H,13H2,1H3,(H,25,26)(H,30,31)(H,27,28,32)
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50284995
PNG
(2-Ethyl-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-...)
Show SMILES CCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C25H20N4O4/c1-2-21-26-20-9-5-8-19(24(30)31)22(20)29(21)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)23-27-25(32)33-28-23/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50285000
PNG
(2-Methoxy-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]oxadiazo...)
Show SMILES COc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H18N4O5/c1-32-23-25-19-8-4-7-18(22(29)30)20(19)28(23)13-14-9-11-15(12-10-14)16-5-2-3-6-17(16)21-26-24(31)33-27-21/h2-12H,13H2,1H3,(H,29,30)(H,26,27,31)
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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50284997
PNG
(2-Methylsulfanyl-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]o...)
Show SMILES CSc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C24H18N4O4S/c1-33-23-25-19-8-4-7-18(22(29)30)20(19)28(23)13-14-9-11-15(12-10-14)16-5-2-3-6-17(16)21-26-24(31)32-27-21/h2-12H,13H2,1H3,(H,29,30)(H,26,27,31)
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n/an/a 390n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50284994
PNG
(3-[2'-(5-Oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-bi...)
Show SMILES CCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C26H22N4O4/c1-2-6-22-27-21-10-5-9-20(25(31)32)23(21)30(22)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)24-28-26(33)34-29-24/h3-5,7-14H,2,6,15H2,1H3,(H,31,32)(H,28,29,33)
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50055441
PNG
(2-Ethoxy-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50284999
PNG
(2-Ethylsulfanyl-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]ox...)
Show SMILES CCSc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C25H20N4O4S/c1-2-34-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)33-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50055459
PNG
(2-Butyl-3-[2'-(5-oxo-4,5-dihydro-[1,2,4]oxadiazol-...)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C27H24N4O4/c1-2-3-11-23-28-22-10-6-9-21(26(32)33)24(22)31(23)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)25-29-27(34)35-30-25/h4-10,12-15H,2-3,11,16H2,1H3,(H,32,33)(H,29,30,34)
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n/an/a 620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50285001
PNG
(3-[2'-(5-Oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-bi...)
Show SMILES CCCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C26H22N4O5/c1-2-14-34-25-27-21-9-5-8-20(24(31)32)22(21)30(25)15-16-10-12-17(13-11-16)18-6-3-4-7-19(18)23-28-26(33)35-29-23/h3-13H,2,14-15H2,1H3,(H,31,32)(H,28,29,33)
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n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50284998
PNG
(3-[2'-(5-Oxo-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-bi...)
Show SMILES CCCSc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
Show InChI InChI=1S/C26H22N4O4S/c1-2-14-35-25-27-21-9-5-8-20(24(31)32)22(21)30(25)15-16-10-12-17(13-11-16)18-6-3-4-7-19(18)23-28-26(33)34-29-23/h3-13H,2,14-15H2,1H3,(H,31,32)(H,28,29,33)
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angiotensin II (AII) receptor at 10e-7 M


Bioorg Med Chem Lett 5: 1903-1908 (1995)


Article DOI: 10.1016/0960-894X(95)00319-O
BindingDB Entry DOI: 10.7270/Q26M36SM
More data for this
Ligand-Target Pair