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Compile Data Set for Download or QSAR

Found 147 hits of kd data for polymerid = 49000265,49000266,49000267   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50047126
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C25H25N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,27,28,29,30)
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n/an/an/a 0.0501n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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/an/a 0.0501n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003154
PNG
(2-{Propyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/an/a 0.0501n/an/an/an/an/a


TBA

Assay Description
pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50056299
PNG
(3-tert-Butyl-1-propyl-5-[2'-(1H-tetrazol-5-yl)-bip...)
Show SMILES CCCn1nc(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(C)(C)C
Show InChI InChI=1S/C25H28N6O2/c1-5-14-31-20(21(24(32)33)22(28-31)25(2,3)4)15-16-10-12-17(13-11-16)18-8-6-7-9-19(18)23-26-29-30-27-23/h6-13H,5,14-15H2,1-4H3,(H,32,33)(H,26,27,29,30)
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n/an/an/a 0.0631n/an/an/an/an/a



J. Uriach & Cía, S.A.

Curated by ChEMBL


Assay Description
Antagonism against Angiotensin II receptor, type 1 in rabbit aorta


J Med Chem 40: 547-58 (1997)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003154
PNG
(2-{Propyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/an/a 0.0794n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003154
PNG
(2-{Propyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/an/a 0.0794n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 10.1-10.7


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) 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/an/a 0.0813n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta assessed as reduction of angiotensin 2-induced contractile response


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50049188
PNG
(2-Propyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCc1nc2CCCCC(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H26N6O/c1-2-7-23-26-21-10-5-6-11-22(32)24(21)31(23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)25-27-29-30-28-25/h3-4,8-9,12-15H,2,5-7,10-11,16H2,1H3,(H,27,28,29,30)
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n/an/an/a 0.0912n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50406989
PNG
(CHEMBL327932)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2nc(OC(C)C)ccc2n1
Show InChI InChI=1S/C27H26N6O2/c1-4-20-15-24(26-23(28-20)13-14-25(29-26)35-17(2)3)34-16-18-9-11-19(12-10-18)21-7-5-6-8-22(21)27-30-32-33-31-27/h5-15,17H,4,16H2,1-3H3,(H,30,31,32,33)
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n/an/an/a 0.100n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonistic ability of angiotensin II to contract rabbit aorta


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403230
PNG
(A-81080 | CHEMBL49410)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C22H21N7O2/c1-2-11-29(21-19(22(30)31)12-23-14-24-21)13-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-25-27-28-26-20/h3-10,12,14H,2,11,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/an/a 0.117n/an/an/an/an/a


TBA

Assay Description
pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403230
PNG
(A-81080 | CHEMBL49410)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C22H21N7O2/c1-2-11-29(21-19(22(30)31)12-23-14-24-21)13-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-25-27-28-26-20/h3-10,12,14H,2,11,13H2,1H3,(H,30,31)(H,25,26,27,28)
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n/an/an/a 0.117n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003155
PNG
(4-{Butyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/an/a 0.117n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003158
PNG
(2-Methyl-4-{propyl-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C23H23N7O2/c1-3-12-30(22-20(23(31)32)13-24-15(2)25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13H,3,12,14H2,1-2H3,(H,31,32)(H,26,27,28,29)
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n/an/an/a 0.251n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50406687
PNG
(CHEMBL125218)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C24H24N6O2/c1-2-3-15-30(23-21(24(31)32)9-6-14-25-23)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22-26-28-29-27-22/h4-14H,2-3,15-16H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/an/a 0.316n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50049200
PNG
(2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc-2c(c1)C(Cc1nnn[nH]1)c1ccccc-21
Show InChI InChI=1S/C26H25N7/c1-4-24-28-25-15(2)11-16(3)27-26(25)33(24)14-17-9-10-20-18-7-5-6-8-19(18)22(21(20)12-17)13-23-29-31-32-30-23/h5-12,22H,4,13-14H2,1-3H3,(H,29,30,31,32)
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n/an/an/a 0.631n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aortic strip assessed as inhibition of angiotensin 2-induced contractile response


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50452851
PNG
(CHEMBL2373017)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCSSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C43H65N13O10S2/c1-4-24(2)35(42(65)66)55-40(63)33-8-6-16-56(33)41(64)32(20-26-21-47-23-49-26)54-38(61)30-14-18-68-67-17-13-29(37(60)53-31(39(62)52-30)19-25-9-11-27(57)12-10-25)51-36(59)28(50-34(58)22-46-3)7-5-15-48-43(44)45/h9-12,21,23-24,28-33,35,46,57H,4-8,13-20,22H2,1-3H3,(H,47,49)(H,50,58)(H,51,59)(H,52,62)(H,53,60)(H,54,61)(H,55,63)(H,65,66)(H4,44,45,48)/t24-,28-,29-,30-,31-,32-,33-,35-/m0/s1
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n/an/an/a 0.813n/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
pA2 value for Angiotensin II receptor


Citation and Details
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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n/an/an/a 1n/an/an/an/an/a


TBA

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


Citation and Details
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 1n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50044355
PNG
(2,5-Dibutyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES CCCCc1nn(CCCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H29N7O/c1-3-5-11-22-27-31(16-6-4-2)24(32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)23-25-28-29-26-23/h7-10,12-15H,3-6,11,16-17H2,1-2H3,(H,25,26,28,29)
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n/an/an/a 1.38n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta assessed as reduction of angiotensin 2-induced contractile response


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50049183
PNG
(2,7-Diethyl-5-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl...)
Show SMILES CCc1nc2c(CC)cn(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)n2n1
Show InChI InChI=1S/C22H22N8/c1-3-16-14-29(30-22(16)23-20(4-2)26-30)13-15-9-11-17(12-10-15)18-7-5-6-8-19(18)21-24-27-28-25-21/h5-12,14H,3-4,13H2,1-2H3,(H,24,25,27,28)
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n/an/an/a 1.51n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50417812
PNG
(CHEMBL352257 | ME-3221)
Show SMILES COc1c(C)nc(C)cc1OCc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H21N5O2/c1-14-12-20(21(28-3)15(2)23-14)29-13-16-8-10-17(11-9-16)18-6-4-5-7-19(18)22-24-26-27-25-22/h4-12H,13H2,1-3H3,(H,24,25,26,27)
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n/an/an/a 1.51n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta assessed as reduction of angiotensin 2-induced contractile response


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003156
PNG
(4-{Butyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1nc(C)ncc1C(O)=O
Show InChI InChI=1S/C24H25N7O2/c1-3-4-13-31(23-21(24(32)33)14-25-16(2)26-23)15-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-27-29-30-28-22/h5-12,14H,3-4,13,15H2,1-2H3,(H,32,33)(H,27,28,29,30)
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n/an/an/a 1.55n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta


Citation and Details
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

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


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50388737
PNG
(CHEMBL2058860)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCC(C)c1ccccc1
Show InChI InChI=1S/C35H35N7O/c1-4-10-32-37-33-23(2)19-28(35(43)36-21-24(3)26-11-6-5-7-12-26)20-31(33)42(32)22-25-15-17-27(18-16-25)29-13-8-9-14-30(29)34-38-40-41-39-34/h5-9,11-20,24H,4,10,21-22H2,1-3H3,(H,36,43)(H,38,39,40,41)
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n/an/an/a 1.70n/an/an/an/an/a



School of Chemical Engineering& the Environment

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in Japanese white rabbit thoracic aorta assessed as inhibition of KCl-induced contraction incubated 30 mins post ...


Bioorg Med Chem 20: 4208-16 (2012)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50388741
PNG
(CHEMBL2058864)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C36H37N7O3/c1-5-8-33-38-34-23(2)19-27(36(44)37-18-17-24-13-16-31(45-3)32(20-24)46-4)21-30(34)43(33)22-25-11-14-26(15-12-25)28-9-6-7-10-29(28)35-39-41-42-40-35/h6-7,9-16,19-21H,5,8,17-18,22H2,1-4H3,(H,37,44)(H,39,40,41,42)
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n/an/an/a 1.82n/an/an/an/an/a



School of Chemical Engineering& the Environment

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in Japanese white rabbit thoracic aorta assessed as inhibition of KCl-induced contraction incubated 30 mins post ...


Bioorg Med Chem 20: 4208-16 (2012)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50049212
PNG
(4'-(2-Cyclopropyl-7-methyl-imidazo[4,5-b]pyridin-3...)
Show SMILES Cc1ccnc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(nc12)C1CC1
Show InChI InChI=1S/C24H21N3O2/c1-15-12-13-25-23-21(15)26-22(18-10-11-18)27(23)14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24(28)29/h2-9,12-13,18H,10-11,14H2,1H3,(H,28,29)
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n/an/an/a 2n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50406688
PNG
(CHEMBL440521)
Show SMILES CCN(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)c1ncccc1C(O)=O
Show InChI InChI=1S/C22H20N6O2/c1-2-28(21-19(22(29)30)8-5-13-23-21)14-15-9-11-16(12-10-15)17-6-3-4-7-18(17)20-24-26-27-25-20/h3-13H,2,14H2,1H3,(H,29,30)(H,24,25,26,27)
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n/an/an/a 2n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 8.70-8.83


Citation and Details
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

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


Citation and Details
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

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


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403234
PNG
(CHEMBL49663)
Show SMILES CCc1nc(NCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(ccc2n1)C(O)=O
Show InChI InChI=1S/C25H21N7O2/c1-2-22-27-21-12-11-17(25(33)34)13-20(21)23(28-22)26-14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24-29-31-32-30-24/h3-13H,2,14H2,1H3,(H,33,34)(H,26,27,28)(H,29,30,31,32)
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n/an/an/a 2.57n/an/an/an/an/a


TBA

Assay Description
pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403215
PNG
(CHEMBL299741)
Show SMILES CCc1nc(NCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2cc(OC)ccc2n1
Show InChI InChI=1S/C25H23N7O/c1-3-23-27-22-13-12-18(33-2)14-21(22)24(28-23)26-15-16-8-10-17(11-9-16)19-6-4-5-7-20(19)25-29-31-32-30-25/h4-14H,3,15H2,1-2H3,(H,26,27,28)(H,29,30,31,32)
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n/an/an/a 2.63n/an/an/an/an/a


TBA

Assay Description
pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50069511
PNG
((2-Ethyl-quinazolin-4-yl)-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCc1nc(NCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C24H21N7/c1-2-22-26-21-10-6-5-9-20(21)23(27-22)25-15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)24-28-30-31-29-24/h3-14H,2,15H2,1H3,(H,25,26,27)(H,28,29,30,31)
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n/an/an/a 2.95n/an/an/an/an/a


TBA

Assay Description
pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50363833
PNG
(CHEMBL1945010)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCCc1cc(OC)ccc1OC
Show InChI InChI=1S/C36H37N3O5/c1-5-8-33-38-34-23(2)19-27(35(40)37-18-17-26-20-28(43-3)15-16-32(26)44-4)21-31(34)39(33)22-24-11-13-25(14-12-24)29-9-6-7-10-30(29)36(41)42/h6-7,9-16,19-21H,5,8,17-18,22H2,1-4H3,(H,37,40)(H,41,42)
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n/an/an/a 3.16n/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin 2 AT1 receptor in Japanese White rabbits thoracic aorta assessed as inhibition of KCl-indcuced contraction after 6...


Eur J Med Chem 49: 183-90 (2012)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50209823
PNG
(3-(4-(2-(1H-tetrazol-5-yl)-1H-pyrrol-1-yl)benzyl)-...)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7O2/c1-2-3-9-21-25-19-7-4-6-18(24(32)33)22(19)31(21)15-16-10-12-17(13-11-16)30-14-5-8-20(30)23-26-28-29-27-23/h4-8,10-14H,2-3,9,15H2,1H3,(H,32,33)(H,26,27,28,29)
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n/an/an/a 3.16n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor assessed inhibition of angiotensin-2-induced contraction of rabbit thoracic aortic rings


Bioorg Med Chem Lett 17: 2921-6 (2007)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50240609
PNG
(2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
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n/an/an/a 3.16n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Bioorg Med Chem 16: 10210-5 (2008)

More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50005347
PNG
(4'-((2-butyl-1H-benzo[d]imidazol-1-yl)methyl)biphe...)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H24N2O2/c1-2-3-12-24-26-22-10-6-7-11-23(22)27(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25(28)29/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29)
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n/an/an/a 3.16n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Bioorg Med Chem 16: 10210-5 (2008)

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

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


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50049184
PNG
(2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nc2cccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7/c1-2-3-10-22-26-21-9-6-15-25-24(21)31(22)16-17-11-13-18(14-12-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-9,11-15H,2-3,10,16H2,1H3,(H,27,28,29,30)
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n/an/an/a 3.55n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

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 3.72n/an/an/an/an/a


TBA

Assay Description
pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings


Citation and Details
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

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


Citation and Details
More data for this
Ligand-Target Pair
AGTR1


(RAT)
BDBM50412545
PNG
(CHEMBL518388)
Show SMILES CCCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C29H33N3O4S/c1-5-6-11-27-30-25-18-22(37(35,36)31-29(2,3)4)16-17-26(25)32(27)19-20-12-14-21(15-13-20)23-9-7-8-10-24(23)28(33)34/h7-10,12-18,31H,5-6,11,19H2,1-4H3,(H,33,34)
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n/an/an/a 3.98n/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in rat aortic rings


Bioorg Med Chem 16: 10210-5 (2008)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50417813
PNG
(CHEMBL340315)
Show SMILES CCCCCc1nc(SCc2ccc(cc2)-c2ccccc2C(O)=O)nn1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C35H33N3O4S/c1-2-3-4-13-32-36-35(43-23-25-16-20-27(21-17-25)29-10-6-8-12-31(29)34(41)42)37-38(32)22-24-14-18-26(19-15-24)28-9-5-7-11-30(28)33(39)40/h5-12,14-21H,2-4,13,22-23H2,1H3,(H,39,40)(H,41,42)
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n/an/an/a 3.98n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta assessed as reduction of angiotensin 2-induced contractile response


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50209824
PNG
(CHEMBL245444 | methyl 3-(4-(2-(1H-tetrazol-5-yl)-1...)
Show SMILES CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H25N7O2/c1-3-4-10-22-26-20-8-5-7-19(25(33)34-2)23(20)32(22)16-17-11-13-18(14-12-17)31-15-6-9-21(31)24-27-29-30-28-24/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,27,28,29,30)
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n/an/an/a 3.98n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit thoracic aortic rings


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50209824
PNG
(CHEMBL245444 | methyl 3-(4-(2-(1H-tetrazol-5-yl)-1...)
Show SMILES CCCCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-n1cccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H25N7O2/c1-3-4-10-22-26-20-8-5-7-19(25(33)34-2)23(20)32(22)16-17-11-13-18(14-12-17)31-15-6-9-21(31)24-27-29-30-28-24/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,27,28,29,30)
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n/an/an/a 3.98n/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor assessed inhibition of angiotensin-2-induced contraction of rabbit thoracic aortic rings


Bioorg Med Chem Lett 17: 2921-6 (2007)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50363828
PNG
(CHEMBL1947131)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NCc1ccc(OC)cc1
Show InChI InChI=1S/C34H33N3O4/c1-4-7-31-36-32-22(2)18-26(33(38)35-20-23-12-16-27(41-3)17-13-23)19-30(32)37(31)21-24-10-14-25(15-11-24)28-8-5-6-9-29(28)34(39)40/h5-6,8-19H,4,7,20-21H2,1-3H3,(H,35,38)(H,39,40)
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n/an/an/a 4.79n/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin 2 AT1 receptor in Japanese White rabbits thoracic aorta assessed as inhibition of KCl-indcuced contraction after 6...


Eur J Med Chem 49: 183-90 (2012)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50388736
PNG
(CHEMBL2058859)
Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H33N7O/c1-3-9-31-36-32-23(2)20-27(34(42)35-19-18-24-10-5-4-6-11-24)21-30(32)41(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)33-37-39-40-38-33/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,35,42)(H,37,38,39,40)
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n/an/an/a 4.79n/an/an/an/an/a



School of Chemical Engineering& the Environment

Curated by ChEMBL


Assay Description
Antagonist activity at AT1 receptor in Japanese white rabbit thoracic aorta assessed as inhibition of KCl-induced contraction incubated 30 mins post ...


Bioorg Med Chem 20: 4208-16 (2012)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50003387
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C25H21N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-15H,2,16H2,1H3,(H,27,28,29,30)
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n/an/an/a 5.01n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit aorta


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
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

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


Citation and Details
More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50417814
PNG
(CHEMBL1668002)
Show SMILES CCCCc1nc2cc(OC)cc(C(O)=O)c2n1Cc1ccc(cc1)N(CC)C(C(O)=O)c1ccccc1
Show InChI InChI=1S/C30H33N3O5/c1-4-6-12-26-31-25-18-23(38-3)17-24(29(34)35)28(25)33(26)19-20-13-15-22(16-14-20)32(5-2)27(30(36)37)21-10-8-7-9-11-21/h7-11,13-18,27H,4-6,12,19H2,1-3H3,(H,34,35)(H,36,37)
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n/an/an/a 5.01n/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Antagonist activity at angiotensin AT1 receptor in rabbit thoracic aortic rings


Bioorg Med Chem 18: 8418-56 (2010)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(RABBIT)
BDBM50403208
PNG
(CHEMBL49528)
Show SMILES CCc1nc(NCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ncn(C)c2n1
Show InChI InChI=1S/C22H21N9/c1-3-18-25-21(19-22(26-18)31(2)13-24-19)23-12-14-8-10-15(11-9-14)16-6-4-5-7-17(16)20-27-29-30-28-20/h4-11,13H,3,12H2,1-2H3,(H,23,25,26)(H,27,28,29,30)
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n/an/an/a 5.13n/an/an/an/an/a


TBA

Assay Description
pA2 value determined in vitro against angiotensin II receptor, type 1 using rabbit aortic rings


Citation and Details
More data for this
Ligand-Target Pair
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