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PubMed code 2016730

Compile data set for download or QSAR
Found 14 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-2 angiotensin II receptor


(RAT)		BDBM50011972
PNG
(CHEMBL385189 | Sar-Arg-Val-Tyr-Ile-His-Pro-Thi-OH)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccs1)C(O)=O
Show InChI InChI=1S/C47H69N13O10S/c1-6-27(4)39(44(67)56-34(21-29-23-51-25-53-29)45(68)60-18-8-12-36(60)42(65)57-35(46(69)70)22-31-10-9-19-71-31)59-41(64)33(20-28-13-15-30(61)16-14-28)55-43(66)38(26(2)3)58-40(63)32(54-37(62)24-50-5)11-7-17-52-47(48)49/h9-10,13-16,19,23,25-27,32-36,38-39,50,61H,6-8,11-12,17-18,20-22,24H2,1-5H3,(H,51,53)(H,54,62)(H,55,66)(H,56,67)(H,57,65)(H,58,63)(H,59,64)(H,69,70)(H4,48,49,52)/t27-,32-,33-,34-,35-,36-,38-,39-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50011977
PNG
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
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n/an/a 1n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50011973
PNG
(CHEMBL216061 | Sar-Arg-Val-Tyr-Ile-His-Pro-Phe | S...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C49H71N13O10/c1-6-29(4)41(46(69)58-36(24-32-25-53-27-55-32)47(70)62-21-11-15-38(62)44(67)59-37(48(71)72)23-30-12-8-7-9-13-30)61-43(66)35(22-31-16-18-33(63)19-17-31)57-45(68)40(28(2)3)60-42(65)34(56-39(64)26-52-5)14-10-20-54-49(50)51/h7-9,12-13,16-19,25,27-29,34-38,40-41,52,63H,6,10-11,14-15,20-24,26H2,1-5H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H4,50,51,54)/t29-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50011975
PNG
(4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propen...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1Cl)C(O)=O
Show InChI InChI=1S/C23H23ClN2O4S/c1-2-3-6-21-25-13-18(10-17(23(29)30)11-19-5-4-9-31-19)26(21)14-16-8-7-15(22(27)28)12-20(16)24/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3,(H,27,28)(H,29,30)/b17-10+
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n/an/a 1.5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50011978
PNG
(3-[2-Butyl-3-(4-hydroxy-3-methyl-benzyl)-3H-imidaz...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(O)c(C)c1
Show InChI InChI=1S/C23H26N2O3S/c1-3-4-7-22-24-14-19(12-18(23(27)28)13-20-6-5-10-29-20)25(22)15-17-8-9-21(26)16(2)11-17/h5-6,8-12,14,26H,3-4,7,13,15H2,1-2H3,(H,27,28)/b18-12+
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n/an/a 21n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50011974
PNG
(3-[2-Butyl-3-(2-nitro-benzyl)-3H-imidazol-4-yl]-2-...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C22H23N3O4S/c1-2-3-10-21-23-14-18(12-17(22(26)27)13-19-8-6-11-30-19)24(21)15-16-7-4-5-9-20(16)25(28)29/h4-9,11-12,14H,2-3,10,13,15H2,1H3,(H,26,27)/b17-12+
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n/an/a 31n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50011971
PNG
(3-[2-Butyl-3-(2-hydroxy-benzyl)-3H-imidazol-4-yl]-...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1O
Show InChI InChI=1S/C22H24N2O3S/c1-2-3-10-21-23-14-18(24(21)15-16-7-4-5-9-20(16)25)12-17(22(26)27)13-19-8-6-11-28-19/h4-9,11-12,14,25H,2-3,10,13,15H2,1H3,(H,26,27)/b17-12+
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n/an/a 90n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50003266
PNG
((E)-3-[2-Butyl-3-(2-chloro-benzyl)-3H-imidazol-4-y...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C22H23ClN2O2S/c1-2-3-10-21-24-14-18(25(21)15-16-7-4-5-9-20(16)23)12-17(22(26)27)13-19-8-6-11-28-19/h4-9,11-12,14H,2-3,10,13,15H2,1H3,(H,26,27)/b17-12+
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n/an/a 440n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50011976
PNG
(3-[2-Butyl-3-(4-nitro-benzyl)-3H-imidazol-4-yl]-2-...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H23N3O4S/c1-2-3-6-21-23-14-19(12-17(22(26)27)13-20-5-4-11-30-20)24(21)15-16-7-9-18(10-8-16)25(28)29/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)/b17-12+
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n/an/a 620n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50003301
PNG
((Z-isomer)-2-Benzyl-3-[2-butyl-3-(2-chloro-benzyl)...)
Show SMILES CCCCc1ncc(\C=C(/Cc2ccccc2)C(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C24H25ClN2O2/c1-2-3-13-23-26-16-21(27(23)17-19-11-7-8-12-22(19)25)15-20(24(28)29)14-18-9-5-4-6-10-18/h4-12,15-16H,2-3,13-14,17H2,1H3,(H,28,29)/b20-15+
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n/an/a 2.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50011970
PNG
(2-[2-Butyl-5-(2-carboxy-3-thiophen-2-yl-propenyl)-...)
Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1C(O)=O
Show InChI InChI=1S/C23H24N2O4S/c1-2-3-10-21-24-14-18(12-17(22(26)27)13-19-8-6-11-30-19)25(21)15-16-7-4-5-9-20(16)23(28)29/h4-9,11-12,14H,2-3,10,13,15H2,1H3,(H,26,27)(H,28,29)/b17-12+
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n/an/a 6.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50003257
PNG
(3-[2-Butyl-3-(2-chloro-benzyl)-3H-imidazol-4-yl]-a...)
Show SMILES CCCCc1ncc(\C=C\C(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C17H19ClN2O2/c1-2-3-8-16-19-11-14(9-10-17(21)22)20(16)12-13-6-4-5-7-15(13)18/h4-7,9-11H,2-3,8,12H2,1H3,(H,21,22)/b10-9+
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n/an/a 8.90E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50003290
PNG
(CHEMBL39345 | [2-Butyl-3-(2-chloro-benzyl)-3H-imid...)
Show SMILES CCCCc1ncc(CC(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C16H19ClN2O2/c1-2-3-8-15-18-10-13(9-16(20)21)19(15)11-12-6-4-5-7-14(12)17/h4-7,10H,2-3,8-9,11H2,1H3,(H,20,21)
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n/an/a 1.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)		BDBM50003284
PNG
(CHEMBL25528 | [2-Butyl-5-chloro-3-(2-chloro-benzyl...)
Show SMILES CCCCc1nc(Cl)c(CC(O)=O)n1Cc1ccccc1Cl
Show InChI InChI=1S/C16H18Cl2N2O2/c1-2-3-8-14-19-16(18)13(9-15(21)22)20(14)10-11-6-4-5-7-12(11)17/h4-7H,2-3,8-10H2,1H3,(H,21,22)
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n/an/a 4.30E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-AII specific binding towards Angiotensin II receptor in rat mesenteric membranes.

J Med Chem 34: 1514-7 (1991)


BindingDB Entry DOI: 10.7270/Q2TD9WBV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%