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Articleid 50040994

Compile data set for download or QSAR
Found 19 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


(RABBIT)
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/an/a 5.01n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 15.8n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 39.8n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403239
PNG
(CHEMBL425139)
Show SMILES CCOC(=O)\C=C1/CC2(CCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H29N5O3/c1-2-35-24(33)16-21-17-27(14-6-3-7-15-27)26(34)32(21)18-19-10-12-20(13-11-19)22-8-4-5-9-23(22)25-28-30-31-29-25/h4-5,8-13,16H,2-3,6-7,14-15,17-18H2,1H3,(H,28,29,30,31)/b21-16+
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n/an/an/a 12.6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 2.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403238
PNG
(CHEMBL170196)
Show SMILES CCOC(=O)\C=C1/CC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H27N5O3/c1-2-34-23(32)15-20-16-26(13-5-6-14-26)25(33)31(20)17-18-9-11-19(12-10-18)21-7-3-4-8-22(21)24-27-29-30-28-24/h3-4,7-12,15H,2,5-6,13-14,16-17H2,1H3,(H,27,28,29,30)/b20-15+
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n/an/an/a 3.16n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403240
PNG
(CHEMBL122855)
Show SMILES CCOC(=O)\C=C1/C2C(C3CCCC2C=C3)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H29N5O3/c1-2-37-25(35)16-24-26-20-6-5-7-21(15-14-20)27(26)29(36)34(24)17-18-10-12-19(13-11-18)22-8-3-4-9-23(22)28-30-32-33-31-28/h3-4,8-16,20-21,26-27H,2,5-7,17H2,1H3,(H,30,31,32,33)/b24-16+
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n/an/an/a 19.9n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403241
PNG
(CHEMBL422912)
Show SMILES CCOC(=O)\C=C1/CC2(CCCCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H31N5O3/c1-2-36-25(34)17-22-18-28(15-7-3-4-8-16-28)27(35)33(22)19-20-11-13-21(14-12-20)23-9-5-6-10-24(23)26-29-31-32-30-26/h5-6,9-14,17H,2-4,7-8,15-16,18-19H2,1H3,(H,29,30,31,32)/b22-17+
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n/an/an/a 3.98n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 2.51n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 7.94n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


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



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403236
PNG
(CHEMBL123208)
Show SMILES CCOC(=O)\C=C1/C2C(C3CCC2C=C3)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H27N5O3/c1-2-36-24(34)15-23-25-19-11-13-20(14-12-19)26(25)28(35)33(23)16-17-7-9-18(10-8-17)21-5-3-4-6-22(21)27-29-31-32-30-27/h3-11,13,15,19-20,25-26H,2,12,14,16H2,1H3,(H,29,30,31,32)/b23-15+
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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 7.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403236
PNG
(CHEMBL123208)
Show SMILES CCOC(=O)\C=C1/C2C(C3CCC2C=C3)C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H27N5O3/c1-2-36-24(34)15-23-25-19-11-13-20(14-12-19)26(25)28(35)33(23)16-17-7-9-18(10-8-17)21-5-3-4-6-22(21)27-29-31-32-30-27/h3-11,13,15,19-20,25-26H,2,12,14,16H2,1H3,(H,29,30,31,32)/b23-15+
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n/an/an/a 6.31n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
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/an/a 31.6n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
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 1.58n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403237
PNG
(CHEMBL122891)
Show SMILES CCOC(=O)\C=C1/C2C3CCC(C3)C2C(=O)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H27N5O3/c1-2-35-23(33)14-22-24-18-11-12-19(13-18)25(24)27(34)32(22)15-16-7-9-17(10-8-16)20-5-3-4-6-21(20)26-28-30-31-29-26/h3-10,14,18-19,24-25H,2,11-13,15H2,1H3,(H,28,29,30,31)/b22-14+
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Article
n/an/an/a 1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings


Bioorg Med Chem Lett 4: 87-92 (1994)


Article DOI: 10.1016/S0960-894X(01)81127-6
BindingDB Entry DOI: 10.7270/Q2BC40QF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%