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Articleid 50029543

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
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285344
PNG
(CHEMBL40585 | [4-(7-Methyl-2-propyl-imidazo[4,5-b]...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2C)cc1
Show InChI InChI=1S/C26H27N3O3/c1-4-7-22-28-23-18(3)14-15-27-25(23)29(22)16-19-10-12-20(13-11-19)32-24(26(30)31)21-9-6-5-8-17(21)2/h5-6,8-15,24H,4,7,16H2,1-3H3,(H,30,31)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285349
PNG
((2-Chloro-phenyl)-[4-(7-methyl-2-propyl-imidazo[4,...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C25H24ClN3O3/c1-3-6-21-28-22-16(2)13-14-27-24(22)29(21)15-17-9-11-18(12-10-17)32-23(25(30)31)19-7-4-5-8-20(19)26/h4-5,7-14,23H,3,6,15H2,1-2H3,(H,30,31)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285356
PNG
((2-Ethoxy-phenyl)-[4-(7-methyl-2-propyl-imidazo[4,...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2OCC)cc1
Show InChI InChI=1S/C27H29N3O4/c1-4-8-23-29-24-18(3)15-16-28-26(24)30(23)17-19-11-13-20(14-12-19)34-25(27(31)32)21-9-6-7-10-22(21)33-5-2/h6-7,9-16,25H,4-5,8,17H2,1-3H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285353
PNG
((2,6-Dichloro-phenyl)-[4-(7-methyl-2-propyl-imidaz...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C25H23Cl2N3O3/c1-3-5-20-29-22-15(2)12-13-28-24(22)30(20)14-16-8-10-17(11-9-16)33-23(25(31)32)21-18(26)6-4-7-19(21)27/h4,6-13,23H,3,5,14H2,1-2H3,(H,31,32)
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285345
PNG
((4-Chloro-2-cyclohexyl-phenoxy)-(4-chloro-phenyl)-...)
Show SMILES OC(=O)C(Oc1ccc(Cl)cc1C1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H20Cl2O3/c21-15-8-6-14(7-9-15)19(20(23)24)25-18-11-10-16(22)12-17(18)13-4-2-1-3-5-13/h6-13,19H,1-5H2,(H,23,24)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(Homo sapiens (Human))		BDBM50285349
PNG
((2-Chloro-phenyl)-[4-(7-methyl-2-propyl-imidazo[4,...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C25H24ClN3O3/c1-3-6-21-28-22-16(2)13-14-27-24(22)29(21)15-17-9-11-18(12-10-17)32-23(25(30)31)19-7-4-5-8-20(19)26/h4-5,7-14,23H,3,6,15H2,1-2H3,(H,30,31)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 2 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285346
PNG
(CHEMBL288222 | [4-(7-Methyl-2-propyl-imidazo[4,5-b...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H27N3O3/c1-3-7-25-31-26-19(2)16-17-30-28(26)32(25)18-20-12-14-22(15-13-20)35-27(29(33)34)24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-17,27H,3,7,18H2,1-2H3,(H,33,34)
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n/an/a 36n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285358
PNG
((2-Methoxy-phenyl)-[4-(7-methyl-2-propyl-imidazo[4...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2OC)cc1
Show InChI InChI=1S/C26H27N3O4/c1-4-7-22-28-23-17(2)14-15-27-25(23)29(22)16-18-10-12-19(13-11-18)33-24(26(30)31)20-8-5-6-9-21(20)32-3/h5-6,8-15,24H,4,7,16H2,1-3H3,(H,30,31)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50284459
PNG
(CHEMBL274260 | [4-(7-Methyl-2-propyl-imidazo[4,5-b...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2)cc1
Show InChI InChI=1S/C25H25N3O3/c1-3-7-21-27-22-17(2)14-15-26-24(22)28(21)16-18-10-12-20(13-11-18)31-23(25(29)30)19-8-5-4-6-9-19/h4-6,8-15,23H,3,7,16H2,1-2H3,(H,29,30)
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285351
PNG
(CHEMBL39124 | [4-(7-Methyl-2-propyl-imidazo[4,5-b]...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H24N4O5/c1-3-6-21-27-22-16(2)13-14-26-24(22)28(21)15-17-9-11-18(12-10-17)34-23(25(30)31)19-7-4-5-8-20(19)29(32)33/h4-5,7-14,23H,3,6,15H2,1-2H3,(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285355
PNG
((3-Chloro-phenyl)-[4-(7-methyl-2-propyl-imidazo[4,...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C25H24ClN3O3/c1-3-5-21-28-22-16(2)12-13-27-24(22)29(21)15-17-8-10-20(11-9-17)32-23(25(30)31)18-6-4-7-19(26)14-18/h4,6-14,23H,3,5,15H2,1-2H3,(H,30,31)
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285350
PNG
(7-Methyl-3-{4-[phenyl-(1H-tetrazol-5-yl)-methoxy]-...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(c2nnn[nH]2)c2ccccc2)cc1
Show InChI InChI=1S/C25H25N7O/c1-3-7-21-27-22-17(2)14-15-26-25(22)32(21)16-18-10-12-20(13-11-18)33-23(24-28-30-31-29-24)19-8-5-4-6-9-19/h4-6,8-15,23H,3,7,16H2,1-2H3,(H,28,29,30,31)
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285347
PNG
((2-Hexyloxy-phenyl)-[4-(7-methyl-2-propyl-imidazo[...)
Show SMILES CCCCCCOc1ccccc1C(Oc1ccc(Cn2c(CCC)nc3c(C)ccnc23)cc1)C(O)=O
Show InChI InChI=1S/C31H37N3O4/c1-4-6-7-10-20-37-26-13-9-8-12-25(26)29(31(35)36)38-24-16-14-23(15-17-24)21-34-27(11-5-2)33-28-22(3)18-19-32-30(28)34/h8-9,12-19,29H,4-7,10-11,20-21H2,1-3H3,(H,35,36)
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285357
PNG
(2-{Carboxy-[4-(7-methyl-2-propyl-imidazo[4,5-b]pyr...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C26H25N3O5/c1-3-6-21-28-22-16(2)13-14-27-24(22)29(21)15-17-9-11-18(12-10-17)34-23(26(32)33)19-7-4-5-8-20(19)25(30)31/h4-5,7-14,23H,3,6,15H2,1-2H3,(H,30,31)(H,32,33)
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n/an/a 235n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285352
PNG
(CHEMBL288618 | Cyclohexyl-[4-(7-methyl-2-propyl-im...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C2CCCCC2)C(O)=O)cc1
Show InChI InChI=1S/C25H31N3O3/c1-3-7-21-27-22-17(2)14-15-26-24(22)28(21)16-18-10-12-20(13-11-18)31-23(25(29)30)19-8-5-4-6-9-19/h10-15,19,23H,3-9,16H2,1-2H3,(H,29,30)
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TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285354
PNG
((4-Chloro-phenyl)-[4-(7-methyl-2-propyl-imidazo[4,...)
Show SMILES CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(O)=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C25H24ClN3O3/c1-3-4-21-28-22-16(2)13-14-27-24(22)29(21)15-17-5-11-20(12-6-17)32-23(25(30)31)18-7-9-19(26)10-8-18/h5-14,23H,3-4,15H2,1-2H3,(H,30,31)
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n/an/a 530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50285348
PNG
(2-[4-(7-Methyl-2-propyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCCC(Oc1ccc(Cn2c(CCC)nc3c(C)ccnc23)cc1)C(O)=O
Show InChI InChI=1S/C22H27N3O3/c1-4-6-18(22(26)27)28-17-10-8-16(9-11-17)14-25-19(7-5-2)24-20-15(3)12-13-23-21(20)25/h8-13,18H,4-7,14H2,1-3H3,(H,26,27)
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n/an/a 840n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for Angiotensin II receptor, type 1 binding affinity using rabbit aorta binding assay

Bioorg Med Chem Lett 5: 155-158 (1995)


Article DOI: 10.1016/0960-894X(94)00476-V
BindingDB Entry DOI: 10.7270/Q26H4HC9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%