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Articleid 50029216

Compile data set for download or QSAR
Found 22 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


(RABBIT)
BDBM50009718
PNG
(2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282329
PNG
(3-(3,5-Dibromo-4-hydroxy-benzyl)-7-methyl-2-propyl...)
Show SMILES CCCc1nc2c(C)cc(nc2n1Cc1cc(Br)c(O)c(Br)c1)C(=O)OC
Show InChI InChI=1S/C19H19Br2N3O3/c1-4-5-15-23-16-10(2)6-14(19(26)27-3)22-18(16)24(15)9-11-7-12(20)17(25)13(21)8-11/h6-8,25H,4-5,9H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282325
PNG
(4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C17H17I2N3O/c1-4-14-21-15-9(2)5-10(3)20-17(15)22(14)8-11-6-12(18)16(23)13(19)7-11/h5-7,23H,4,8H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282339
PNG
(2,6-Dibromo-4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H17Br2N3O/c1-4-14-21-15-9(2)5-10(3)20-17(15)22(14)8-11-6-12(18)16(23)13(19)7-11/h5-7,23H,4,8H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282334
PNG
(3-(3,5-Dibromo-4-hydroxy-benzyl)-7-methyl-2-propyl...)
Show SMILES CCCc1nc2c(C)cc(nc2n1Cc1cc(Br)c(O)c(Br)c1)C(O)=O
Show InChI InChI=1S/C18H17Br2N3O3/c1-3-4-14-22-15-9(2)5-13(18(25)26)21-17(15)23(14)8-10-6-11(19)16(24)12(20)7-10/h5-7,24H,3-4,8H2,1-2H3,(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282326
PNG
(2,6-Dichloro-4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1cc(Cl)c(O)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2N3O/c1-4-14-21-15-9(2)5-10(3)20-17(15)22(14)8-11-6-12(18)16(23)13(19)7-11/h5-7,23H,4,8H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282336
PNG
(4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1cc(I)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H17IN4O3/c1-4-14-20-15-9(2)5-10(3)19-17(15)21(14)8-11-6-12(18)16(23)13(7-11)22(24)25/h5-7,23H,4,8H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282341
PNG
(1,1,2,2,3,3,4,4,4-Nonafluoro-butane-1-sulfonic aci...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Oc2ccccc2NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F9N4O3S/c1-4-21-38-22-15(2)13-16(3)37-23(22)40(21)14-17-9-11-18(12-10-17)43-20-8-6-5-7-19(20)39-44(41,42)27(35,36)25(30,31)24(28,29)26(32,33)34/h5-13,39H,4,14H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282338
PNG
(2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3...)
Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1Oc1ccccc1C(O)=O
Show InChI InChI=1S/C30H35N3O3/c1-6-11-22-16-21(18-33-26(8-3)32-27-19(4)15-20(5)31-29(27)33)17-23(12-7-2)28(22)36-25-14-10-9-13-24(25)30(34)35/h9-10,13-17H,6-8,11-12,18H2,1-5H3,(H,34,35)
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282342
PNG
(CHEMBL63280 | N-{2-[4-(2-Ethyl-5,7-dimethyl-imidaz...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Oc2ccccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C24H23F3N4O3S/c1-4-21-29-22-15(2)13-16(3)28-23(22)31(21)14-17-9-11-18(12-10-17)34-20-8-6-5-7-19(20)30-35(32,33)24(25,26)27/h5-13,30H,4,14H2,1-3H3
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n/an/a 51n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282328
PNG
(2-Ethyl-5,7-dimethyl-3-{4-[2-(2H-tetrazol-5-yl)-ph...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Oc2ccccc2-c2nnn[nH]2)cc1
Show InChI InChI=1S/C24H23N7O/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)32-20-8-6-5-7-19(20)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
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n/an/a 160n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282333
PNG
(5-Butyl-4-(3,5-dibromo-4-hydroxy-benzyl)-2-(2-trif...)
Show SMILES CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C20H18Br2F3N3O2/c1-2-3-8-17-26-28(16-7-5-4-6-13(16)20(23,24)25)19(30)27(17)11-12-9-14(21)18(29)15(22)10-12/h4-7,9-10,29H,2-3,8,11H2,1H3
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282335
PNG
(2-Allyl-4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyri...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1cc(CC=C)c(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N4O3/c1-5-7-15-9-14(10-16(19(15)25)24(26)27)11-23-17(6-2)22-18-12(3)8-13(4)21-20(18)23/h5,8-10,25H,1,6-7,11H2,2-4H3
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282330
PNG
(2-Butyl-3-(3,5-dibromo-4-hydroxy-benzyl)-6-methyl-...)
Show SMILES CCCCc1nc2ccc(C)cc2c(=O)n1Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C20H20Br2N2O2/c1-3-4-5-18-23-17-7-6-12(2)8-14(17)20(26)24(18)11-13-9-15(21)19(25)16(22)10-13/h6-10,25H,3-5,11H2,1-2H3
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n/an/a 410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282343
PNG
(2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C24H23N3O3/c1-4-21-26-22-15(2)13-16(3)25-23(22)27(21)14-17-9-11-18(12-10-17)30-20-8-6-5-7-19(20)24(28)29/h5-13H,4,14H2,1-3H3,(H,28,29)
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n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282344
PNG
(3-Bromo-5-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyri...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1cc(Br)c(O)c(c1)C(=O)OC
Show InChI InChI=1S/C19H20BrN3O3/c1-5-15-22-16-10(2)6-11(3)21-18(16)23(15)9-12-7-13(19(25)26-4)17(24)14(20)8-12/h6-8,24H,5,9H2,1-4H3
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n/an/a 780n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282345
PNG
(4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H18N4O3/c1-4-15-19-16-10(2)7-11(3)18-17(16)20(15)9-12-5-6-14(22)13(8-12)21(23)24/h5-8,22H,4,9H2,1-3H3
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282340
PNG
(4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1O
Show InChI InChI=1S/C23H31N3O/c1-6-9-18-12-17(13-19(10-7-2)22(18)27)14-26-20(8-3)25-21-15(4)11-16(5)24-23(21)26/h11-13,27H,6-10,14H2,1-5H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282337
PNG
(5-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1cc(I)c(O)c(c1)C(=O)OC
Show InChI InChI=1S/C19H20IN3O3/c1-5-15-22-16-10(2)6-11(3)21-18(16)23(15)9-12-7-13(19(25)26-4)17(24)14(20)8-12/h6-8,24H,5,9H2,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282331
PNG
(2-Chloro-4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyr...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(O)c(Cl)c1
Show InChI InChI=1S/C17H18ClN3O/c1-4-15-20-16-10(2)7-11(3)19-17(16)21(15)9-12-5-6-14(22)13(18)8-12/h5-8,22H,4,9H2,1-3H3
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n/an/a>1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282332
PNG
(4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(O)cc1
Show InChI InChI=1S/C17H19N3O/c1-4-15-19-16-11(2)9-12(3)18-17(16)20(15)10-13-5-7-14(21)8-6-13/h5-9,21H,4,10H2,1-3H3
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n/an/a>3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)
BDBM50282327
PNG
(3-(3,5-Dibromo-benzyl)-2-ethyl-5,7-dimethyl-3H-imi...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1cc(Br)cc(Br)c1
Show InChI InChI=1S/C17H17Br2N3/c1-4-15-21-16-10(2)5-11(3)20-17(16)22(15)9-12-6-13(18)8-14(19)7-12/h5-8H,4,9H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity evaluated by its ability to displace the specific binding ligand 125I-SAR1, Ile8-AII from Angiotensin II receptor, type 1 in rabbit ...


Bioorg Med Chem Lett 4: 207-212 (1994)


Article DOI: 10.1016/S0960-894X(01)81148-3
BindingDB Entry DOI: 10.7270/Q2PR7VXH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%