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Articleid 50029209

Compile data set for download or QSAR
Found 16 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
Type-1 angiotensin II receptor B


(RAT)		BDBM50282270
PNG
(4'-(2-Butyl-4-cyclopentyl-4-methyl-5-oxo-4,5-dihyd...)
Show SMILES CCCCC1=NC(C)(C2CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C27H32N2O3/c1-3-4-13-24-28-27(2,21-9-5-6-10-21)26(32)29(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25(30)31/h7-8,11-12,14-17,21H,3-6,9-10,13,18H2,1-2H3,(H,30,31)
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n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282264
PNG
(2-Butyl-5-cyclohexyl-5-methyl-3-[2'-(1H-tetrazol-5...)
Show SMILES CCCCC1=NC(C)(C2CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C28H34N6O/c1-3-4-14-25-29-28(2,22-10-6-5-7-11-22)27(35)34(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26-30-32-33-31-26/h8-9,12-13,15-18,22H,3-7,10-11,14,19H2,1-2H3,(H,30,31,32,33)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282264
PNG
(2-Butyl-5-cyclohexyl-5-methyl-3-[2'-(1H-tetrazol-5...)
Show SMILES CCCCC1=NC(C)(C2CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C28H34N6O/c1-3-4-14-25-29-28(2,22-10-6-5-7-11-22)27(35)34(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26-30-32-33-31-26/h8-9,12-13,15-18,22H,3-7,10-11,14,19H2,1-2H3,(H,30,31,32,33)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282267
PNG
(4'-(2-Butyl-4-isopropyl-4-methyl-5-oxo-4,5-dihydro...)
Show SMILES CCCCC1=NC(C)(C(C)C)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C25H30N2O3/c1-5-6-11-22-26-25(4,17(2)3)24(30)27(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23(28)29/h7-10,12-15,17H,5-6,11,16H2,1-4H3,(H,28,29)
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n/an/a 7.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282263
PNG
(2-Butyl-5-cyclopentyl-5-methyl-3-[2'-(2H-tetrazol-...)
Show SMILES CCCCC1=NC(C)(C2CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C27H32N6O/c1-3-4-13-24-28-27(2,21-9-5-6-10-21)26(34)33(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25-29-31-32-30-25/h7-8,11-12,14-17,21H,3-6,9-10,13,18H2,1-2H3,(H,29,30,31,32)
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n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282262
PNG
(4'-(2-Butyl-4-cyclohexyl-4-methyl-5-oxo-4,5-dihydr...)
Show SMILES CCCCC1=NC(C)(C2CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C28H34N2O3/c1-3-4-14-25-29-28(2,22-10-6-5-7-11-22)27(33)30(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26(31)32/h8-9,12-13,15-18,22H,3-7,10-11,14,19H2,1-2H3,(H,31,32)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282268
PNG
(4'-(2-Butyl-4-cyclopropyl-4-methyl-5-oxo-4,5-dihyd...)
Show SMILES CCCCC1=NC(C)(C2CC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C25H28N2O3/c1-3-4-9-22-26-25(2,19-14-15-19)24(30)27(22)16-17-10-12-18(13-11-17)20-7-5-6-8-21(20)23(28)29/h5-8,10-13,19H,3-4,9,14-16H2,1-2H3,(H,28,29)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282265
PNG
(4'-(2-Butyl-4-methyl-5-oxo-4-phenyl-4,5-dihydro-im...)
Show SMILES CCCCC1=NC(C)(C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)c1ccccc1 |t:4|
Show InChI InChI=1S/C28H28N2O3/c1-3-4-14-25-29-28(2,22-10-6-5-7-11-22)27(33)30(25)19-20-15-17-21(18-16-20)23-12-8-9-13-24(23)26(31)32/h5-13,15-18H,3-4,14,19H2,1-2H3,(H,31,32)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50042244
PNG
(4'-(2-Butyl-4,4-dimethyl-5-oxo-4,5-dihydro-imidazo...)
Show SMILES CCCCC1=NC(C)(C)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C23H26N2O3/c1-4-5-10-20-24-23(2,3)22(28)25(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21(26)27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27)
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282269
PNG
(4'-(2-Butyl-4-cyclohexyl-4-ethyl-5-oxo-4,5-dihydro...)
Show SMILES CCCCC1=NC(CC)(C2CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C29H36N2O3/c1-3-5-15-26-30-29(4-2,23-11-7-6-8-12-23)28(34)31(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)27(32)33/h9-10,13-14,16-19,23H,3-8,11-12,15,20H2,1-2H3,(H,32,33)
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n/an/a 52n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50042240
PNG
(4'-(2-Butyl-4,4-diethyl-5-oxo-4,5-dihydro-imidazol...)
Show SMILES CCCCC1=NC(CC)(CC)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C25H30N2O3/c1-4-7-12-22-26-25(5-2,6-3)24(30)27(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)23(28)29/h8-11,13-16H,4-7,12,17H2,1-3H3,(H,28,29)
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n/an/a 56n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50042239
PNG
(4'-(2-Butyl-4,4-dicyclopropyl-5-oxo-4,5-dihydro-im...)
Show SMILES CCCCC1=NC(C2CC2)(C2CC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C27H30N2O3/c1-2-3-8-24-28-27(20-13-14-20,21-15-16-21)26(32)29(24)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)25(30)31/h4-7,9-12,20-21H,2-3,8,13-17H2,1H3,(H,30,31)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282266
PNG
(4'-(2-Butyl-4-cyclohexylmethyl-4-methyl-5-oxo-4,5-...)
Show SMILES CCCCC1=NC(C)(CC2CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C29H36N2O3/c1-3-4-14-26-30-29(2,19-21-10-6-5-7-11-21)28(34)31(26)20-22-15-17-23(18-16-22)24-12-8-9-13-25(24)27(32)33/h8-9,12-13,15-18,21H,3-7,10-11,14,19-20H2,1-2H3,(H,32,33)
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50282271
PNG
(4'-[2-Butyl-4-(2,4-dimethyl-pentyl)-4-methyl-5-oxo...)
Show SMILES CCCCC1=NC(C)(CC(C)CC(C)C)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C29H38N2O3/c1-6-7-12-26-30-29(5,18-21(4)17-20(2)3)28(34)31(26)19-22-13-15-23(16-14-22)24-10-8-9-11-25(24)27(32)33/h8-11,13-16,20-21H,6-7,12,17-19H2,1-5H3,(H,32,33)
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50042222
PNG
(4'-(2,4,4-Tributyl-5-oxo-4,5-dihydro-imidazol-1-yl...)
Show SMILES CCCCC1=NC(CCCC)(CCCC)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C29H38N2O3/c1-4-7-14-26-30-29(19-8-5-2,20-9-6-3)28(34)31(26)21-22-15-17-23(18-16-22)24-12-10-11-13-25(24)27(32)33/h10-13,15-18H,4-9,14,19-21H2,1-3H3,(H,32,33)
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)		BDBM50042241
PNG
(4'-(2-Butyl-4,4-diisobutyl-5-oxo-4,5-dihydro-imida...)
Show SMILES CCCCC1=NC(CC(C)C)(CC(C)C)C(=O)N1Cc1ccc(cc1)-c1ccccc1C(O)=O |t:4|
Show InChI InChI=1S/C29H38N2O3/c1-6-7-12-26-30-29(17-20(2)3,18-21(4)5)28(34)31(26)19-22-13-15-23(16-14-22)24-10-8-9-11-25(24)27(32)33/h8-11,13-16,20-21H,6-7,12,17-19H2,1-5H3,(H,32,33)
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver membrane by [125I]- A II displacement.

Bioorg Med Chem Lett 4: 163-168 (1994)


Article DOI: 10.1016/S0960-894X(01)81140-9
BindingDB Entry DOI: 10.7270/Q2M045CQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%