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PubMed code 7990105

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


(RABBIT)		BDBM50038189
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H28N4O3S/c1-4-27-32-28-20(2)18-21(3)31-29(28)34(27)19-22-14-16-23(17-15-22)25-12-8-9-13-26(25)38(36,37)33-30(35)24-10-6-5-7-11-24/h5-18H,4,19H2,1-3H3,(H,33,35)
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50038190
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(C)C
Show InChI InChI=1S/C27H30N4O3S/c1-6-24-29-25-18(4)15-19(5)28-26(25)31(24)16-20-11-13-21(14-12-20)22-9-7-8-10-23(22)35(33,34)30-27(32)17(2)3/h7-15,17H,6,16H2,1-5H3,(H,30,32)
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n/an/a 0.210n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50038192
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C27H30N4O3S/c1-5-9-25(32)30-35(33,34)23-11-8-7-10-22(23)21-14-12-20(13-15-21)17-31-24(6-2)29-26-18(3)16-19(4)28-27(26)31/h7-8,10-16H,5-6,9,17H2,1-4H3,(H,30,32)
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n/an/a 0.270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50038193
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CC1
Show InChI InChI=1S/C27H28N4O3S/c1-4-24-29-25-17(2)15-18(3)28-26(25)31(24)16-19-9-11-20(12-10-19)22-7-5-6-8-23(22)35(33,34)30-27(32)21-13-14-21/h5-12,15,21H,4,13-14,16H2,1-3H3,(H,30,32)
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n/an/a 0.680n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50038191
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)=O
Show InChI InChI=1S/C25H26N4O3S/c1-5-23-27-24-16(2)14-17(3)26-25(24)29(23)15-19-10-12-20(13-11-19)21-8-6-7-9-22(21)33(31,32)28-18(4)30/h6-14H,5,15H2,1-4H3,(H,28,30)
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		BDBM50006909
PNG
(2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(RABBIT)		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 |t:4|
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT1 receptor in rabbit aorta

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50038190
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C(C)C
Show InChI InChI=1S/C27H30N4O3S/c1-6-24-29-25-18(4)15-19(5)28-26(25)31(24)16-20-11-13-21(14-12-20)22-9-7-8-10-23(22)35(33,34)30-27(32)17(2)3/h7-15,17H,6,16H2,1-5H3,(H,30,32)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT2 receptor in rat midbrain

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50038193
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)C1CC1
Show InChI InChI=1S/C27H28N4O3S/c1-4-24-29-25-17(2)15-18(3)28-26(25)31(24)16-19-9-11-20(12-10-19)22-7-5-6-8-23(22)35(33,34)30-27(32)21-13-14-21/h5-12,15,21H,4,13-14,16H2,1-3H3,(H,30,32)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT2 receptor in rat midbrain

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50038189
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H28N4O3S/c1-4-27-32-28-20(2)18-21(3)31-29(28)34(27)19-22-14-16-23(17-15-22)25-12-8-9-13-26(25)38(36,37)33-30(35)24-10-6-5-7-11-24/h5-18H,4,19H2,1-3H3,(H,33,35)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT2 receptor in rat midbrain

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50038192
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc23)cc1
Show InChI InChI=1S/C27H30N4O3S/c1-5-9-25(32)30-35(33,34)23-11-8-7-10-22(23)21-14-12-20(13-15-21)17-31-24(6-2)29-26-18(3)16-19(4)28-27(26)31/h7-8,10-16H,5-6,9,17H2,1-4H3,(H,30,32)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT2 receptor in rat midbrain

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50038191
PNG
(4'-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)=O
Show InChI InChI=1S/C25H26N4O3S/c1-5-23-27-24-16(2)14-17(3)26-25(24)29(23)15-19-10-12-20(13-11-19)21-8-6-7-9-22(21)33(31,32)28-18(4)30/h6-14H,5,15H2,1-4H3,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT2 receptor in rat midbrain

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		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 |t:4|
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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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT2 receptor in rat midbrain

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50006909
PNG
(2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT2 receptor in rat midbrain

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		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 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound for angiotensin II AT2 receptor in rat midbrain

J Med Chem 37: 4068-72 (1995)


BindingDB Entry DOI: 10.7270/Q2DV1HZ3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%