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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'thomason' and Initial = 'da'   
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
Squalene synthetase


(Rattus norvegicus)
BDBM50291312
PNG
(4-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES COC(=O)CCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C23H29NO3/c1-3-5-20-16-18(6-4-7-22(25)27-2)8-9-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,8-9,16,21,26H,1,4-7,11-12,14-15,17H2,2H3
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50075719
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50291315
PNG
(5-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES COC(=O)CCCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C24H31NO3/c1-3-6-21-17-19(7-4-5-8-23(26)28-2)9-10-20(21)11-14-24(27)18-25-15-12-22(24)13-16-25/h3,9-10,17,22,27H,1,4-8,12-13,15-16,18H2,2H3
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50291311
PNG
(6-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES COC(=O)CCCCCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C25H33NO3/c1-3-7-22-18-20(8-5-4-6-9-24(27)29-2)10-11-21(22)12-15-25(28)19-26-16-13-23(25)14-17-26/h3,10-11,18,23,28H,1,4-9,13-14,16-17,19H2,2H3
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50291316
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES COC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C22H27NO3/c1-3-4-19-15-17(6-8-21(24)26-2)5-7-18(19)9-12-22(25)16-23-13-10-20(22)11-14-23/h3,5,7,15,20,25H,1,4,6,8,10-11,13-14,16H2,2H3
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Homo sapiens (Human))
BDBM50075719
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against human microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50291317
PNG
(CHEMBL154472 | [3-Allyl-4-(3-hydroxy-1-aza-bicyclo...)
Show SMILES CCOC(=O)Cc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C22H27NO3/c1-3-5-19-14-17(15-21(24)26-4-2)6-7-18(19)8-11-22(25)16-23-12-9-20(22)10-13-23/h3,6-7,14,20,25H,1,4-5,9-10,12-13,15-16H2,2H3
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50291314
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES NC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C21H26N2O2/c1-2-3-18-14-16(5-7-20(22)24)4-6-17(18)8-11-21(25)15-23-12-9-19(21)10-13-23/h2,4,6,14,19,25H,1,3,5,7,9-10,12-13,15H2,(H2,22,24)
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>250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50291319
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES CNC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C22H28N2O2/c1-3-4-19-15-17(6-8-21(25)23-2)5-7-18(19)9-12-22(26)16-24-13-10-20(22)11-14-24/h3,5,7,15,20,26H,1,4,6,8,10-11,13-14,16H2,2H3,(H,23,25)
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>250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50291318
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES OC1(CN2CCC1CC2)C#Cc1ccc(CCC#N)cc1CC=C
Show InChI InChI=1/C21H24N2O/c1-2-4-19-15-17(5-3-12-22)6-7-18(19)8-11-21(24)16-23-13-9-20(21)10-14-23/h2,6-7,15,20,24H,1,3-5,9-10,13-14,16H2
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>250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50291313
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES CCN(CC)C(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1/C25H34N2O2/c1-4-7-22-18-20(9-11-24(28)27(5-2)6-3)8-10-21(22)12-15-25(29)19-26-16-13-23(25)14-17-26/h4,8,10,18,23,29H,1,5-7,9,11,13-14,16-17,19H2,2-3H3
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>250n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against rat microsomal quinuclidine squalene synthase (SQS)


Bioorg Med Chem Lett 7: 597-600 (1997)


Article DOI: 10.1016/S0960-894X(97)00053-X
BindingDB Entry DOI: 10.7270/Q2C24WFT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
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/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283596
PNG
(1-[4-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxym...)
Show SMILES CCc1cc(OCc2ccc(c(c2)C(C)=O)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C27H27N5O2/c1-3-19-15-26(23-10-6-7-11-25(23)28-19)34-16-18-12-13-21(24(14-18)17(2)33)20-8-4-5-9-22(20)27-29-31-32-30-27/h4-5,8-9,12-15H,3,6-7,10-11,16H2,1-2H3,(H,29,30,31,32)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283591
PNG
(4-[2-Chloro-2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCc1cc(OCc2ccc(c(Cl)c2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C25H24ClN5O/c1-2-17-14-24(21-9-5-6-10-23(21)27-17)32-15-16-11-12-19(22(26)13-16)18-7-3-4-8-20(18)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,28,29,30,31)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283597
PNG
(2-Ethyl-4-[2-methoxy-2'-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES CCc1cc(OCc2ccc(c(OC)c2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C26H27N5O2/c1-3-18-15-25(22-10-6-7-11-23(22)27-18)33-16-17-12-13-20(24(14-17)32-2)19-8-4-5-9-21(19)26-28-30-31-29-26/h4-5,8-9,12-15H,3,6-7,10-11,16H2,1-2H3,(H,28,29,30,31)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283587
PNG
(2-Ethyl-4-[3-fluoro-2'-(2H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCc1cc(OCc2ccc(cc2F)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C25H24FN5O/c1-2-18-14-24(21-9-5-6-10-23(21)27-18)32-15-17-12-11-16(13-22(17)26)19-7-3-4-8-20(19)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,28,29,30,31)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
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
Show InChI InChI=1/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 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283593
PNG
(4-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc(c(c2)C(=O)OC)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C27H27N5O3/c1-3-18-15-25(22-10-6-7-11-24(22)28-18)35-16-17-12-13-20(23(14-17)27(33)34-2)19-8-4-5-9-21(19)26-29-31-32-30-26/h4-5,8-9,12-15H,3,6-7,10-11,16H2,1-2H3,(H,29,30,31,32)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283590
PNG
(4-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc(c(c2)C(O)=O)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C26H25N5O3/c1-2-17-14-24(21-9-5-6-10-23(21)27-17)34-15-16-11-12-19(22(13-16)26(32)33)18-7-3-4-8-20(18)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,32,33)(H,28,29,30,31)
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283589
PNG
(2-Ethyl-4-[2'-methyl-6'-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2c(C)cccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C26H27N5O/c1-3-20-15-24(21-8-4-5-10-23(21)27-20)32-16-18-11-13-19(14-12-18)25-17(2)7-6-9-22(25)26-28-30-31-29-26/h6-7,9,11-15H,3-5,8,10,16H2,1-2H3,(H,28,29,30,31)
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283592
PNG
(2-Ethyl-4-[4'-methyl-2'-(2H-tetrazol-5-yl)-bipheny...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccc(C)cc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C26H27N5O/c1-3-20-15-25(22-6-4-5-7-24(22)27-20)32-16-18-9-11-19(12-10-18)21-13-8-17(2)14-23(21)26-28-30-31-29-26/h8-15H,3-7,16H2,1-2H3,(H,28,29,30,31)
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283595
PNG
(2-Ethyl-4-[5'-methoxy-2'-(2H-tetrazol-5-yl)-biphen...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2cc(OC)ccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C26H27N5O2/c1-3-19-14-25(22-6-4-5-7-24(22)27-19)33-16-17-8-10-18(11-9-17)23-15-20(32-2)12-13-21(23)26-28-30-31-29-26/h8-15H,3-7,16H2,1-2H3,(H,28,29,30,31)
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n/an/a 67n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283588
PNG
(4-[4'-Chloro-2'-(2H-tetrazol-5-yl)-biphenyl-4-ylme...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccc(Cl)cc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C25H24ClN5O/c1-2-19-14-24(21-5-3-4-6-23(21)27-19)32-15-16-7-9-17(10-8-16)20-12-11-18(26)13-22(20)25-28-30-31-29-25/h7-14H,2-6,15H2,1H3,(H,28,29,30,31)
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n/an/a 93n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50005340
PNG
(2-Butyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H24N6/c1-2-3-12-24-26-22-10-6-7-11-23(22)31(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-27-29-30-28-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,27,28,29,30)
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n/an/a 96n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283594
PNG
(2-Ethyl-4-[4'-methoxy-2'-(2H-tetrazol-5-yl)-biphen...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccc(OC)cc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C26H27N5O2/c1-3-19-14-25(22-6-4-5-7-24(22)27-19)33-16-17-8-10-18(11-9-17)21-13-12-20(32-2)15-23(21)26-28-30-31-29-26/h8-15H,3-7,16H2,1-2H3,(H,28,29,30,31)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 480n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230428
PNG
(CHEMBL352376)
Show SMILES CCCCCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O2/c1-2-3-4-5-10-20-22-18-8-6-7-9-19(18)23(20)15-16-11-13-17(14-12-16)21(24)25/h6-9,11-14H,2-5,10,15H2,1H3,(H,24,25)
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n/an/a 640n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230436
PNG
(CHEMBL424372)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C19H19FN2O2/c1-2-3-8-18-21-16-6-4-5-7-17(16)22(18)12-14-10-9-13(19(23)24)11-15(14)20/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)
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n/an/a 860n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230438
PNG
(CHEMBL171530)
Show SMILES CCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H18Cl2N2O2/c1-2-3-4-18-22-16-9-14(20)15(21)10-17(16)23(18)11-12-5-7-13(8-6-12)19(24)25/h5-10H,2-4,11H2,1H3,(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230431
PNG
(CHEMBL171456)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H20N2O2/c1-2-3-8-18-20-16-6-4-5-7-17(16)21(18)13-14-9-11-15(12-10-14)19(22)23/h4-7,9-12H,2-3,8,13H2,1H3,(H,22,23)
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n/an/a 1.80E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230439
PNG
(CHEMBL172344)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C19H19N3O4/c1-2-3-8-18-20-15-6-4-5-7-16(15)21(18)12-14-10-9-13(19(23)24)11-17(14)22(25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
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/a 2.30E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230427
PNG
(CHEMBL171490)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1Br)C(O)=O
Show InChI InChI=1S/C19H19BrN2O2/c1-2-3-8-18-21-16-6-4-5-7-17(16)22(18)12-14-10-9-13(19(23)24)11-15(14)20/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)
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n/an/a 3.70E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230440
PNG
(CHEMBL171395)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(Br)c1
Show InChI InChI=1S/C19H19BrN2O2/c1-2-3-8-18-21-16-6-4-5-7-17(16)22(18)12-13-9-10-14(19(23)24)15(20)11-13/h4-7,9-11H,2-3,8,12H2,1H3,(H,23,24)
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n/an/a 3.90E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230435
PNG
(CHEMBL172577)
Show SMILES CCCCc1nc2cc(F)ccc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H19FN2O2/c1-2-3-4-18-21-16-11-15(20)9-10-17(16)22(18)12-13-5-7-14(8-6-13)19(23)24/h5-11H,2-4,12H2,1H3,(H,23,24)
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n/an/a 4.90E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230434
PNG
(CHEMBL172056)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(C)c1
Show InChI InChI=1S/C20H22N2O2/c1-3-4-9-19-21-17-7-5-6-8-18(17)22(19)13-15-10-11-16(20(23)24)14(2)12-15/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)
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n/an/a 5.40E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230424
PNG
(CHEMBL558388)
Show SMILES Cl.CCCCc1nc2ccccc2n1Cc1ccc(cc1)C1=NNNN1
Show InChI InChI=1S/C19H22N6.ClH/c1-2-3-8-18-20-16-6-4-5-7-17(16)25(18)13-14-9-11-15(12-10-14)19-21-23-24-22-19;/h4-7,9-12,23-24H,2-3,8,13H2,1H3,(H,21,22);1H
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n/an/a 5.60E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230429
PNG
(CHEMBL354435)
Show SMILES CCCCc1nc2ccc(F)cc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H19FN2O2/c1-2-3-4-18-21-16-10-9-15(20)11-17(16)22(18)12-13-5-7-14(8-6-13)19(23)24/h5-11H,2-4,12H2,1H3,(H,23,24)
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n/an/a 7.10E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230425
PNG
(CHEMBL355691)
Show SMILES CCCCc1nc2ccccn2c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C25H24N2O2/c1-2-3-10-22-23(27-16-7-6-11-24(27)26-22)17-18-12-14-19(15-13-18)20-8-4-5-9-21(20)25(28)29/h4-9,11-16H,2-3,10,17H2,1H3,(H,28,29)
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n/an/a 7.40E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230426
PNG
(CHEMBL367565)
Show SMILES CCCCc1nc(Cl)c2COc3cc(ccc3Cn12)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H21ClN2O3/c1-2-3-8-20-24-21(23)18-13-28-19-11-14(9-10-15(19)12-25(18)20)16-6-4-5-7-17(16)22(26)27/h4-7,9-11H,2-3,8,12-13H2,1H3,(H,26,27)
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n/an/a 8.50E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230441
PNG
(CHEMBL171681)
Show SMILES CCCCc1nccn1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C21H22N2O2/c1-2-3-8-20-22-13-14-23(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)21(24)25/h4-7,9-14H,2-3,8,15H2,1H3,(H,24,25)
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n/an/a 9.40E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230539
PNG
(CHEMBL172334)
Show SMILES CCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H18N2O2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(11-9-13)18(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,21,22)
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n/an/a 1.10E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230437
PNG
(CHEMBL367566)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(C(O)=O)c(OC)c1
Show InChI InChI=1S/C20H22N2O3/c1-3-4-9-19-21-16-7-5-6-8-17(16)22(19)13-14-10-11-15(20(23)24)18(12-14)25-2/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230430
PNG
(CHEMBL354436)
Show SMILES CCCCc1nc(Cl)c2COc3cc(ccc3Cn12)C(O)=O
Show InChI InChI=1S/C16H17ClN2O3/c1-2-3-4-14-18-15(17)12-9-22-13-7-10(16(20)21)5-6-11(13)8-19(12)14/h5-7H,2-4,8-9H2,1H3,(H,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230432
PNG
(CHEMBL171317)
Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1OC)C(O)=O
Show InChI InChI=1S/C20H22N2O3/c1-3-4-9-19-21-16-7-5-6-8-17(16)22(19)13-15-11-10-14(20(23)24)12-18(15)25-2/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)
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n/an/a 1.80E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230423
PNG
(CHEMBL171875)
Show SMILES CCCCc1cc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C26H25NO2/c1-2-3-9-22-17-21-8-4-7-12-25(21)27(22)18-19-13-15-20(16-14-19)23-10-5-6-11-24(23)26(28)29/h4-8,10-17H,2-3,9,18H2,1H3,(H,28,29)
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n/an/a 5.10E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50230433
PNG
(CHEMBL422562)
Show SMILES OC(=O)c1ccccc1-c1ccc(Cn2cnc3ccccc23)cc1
Show InChI InChI=1S/C21H16N2O2/c24-21(25)18-6-2-1-5-17(18)16-11-9-15(10-12-16)13-23-14-22-19-7-3-4-8-20(19)23/h1-12,14H,13H2,(H,24,25)
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n/an/a 1.40E+5n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.


J Med Chem 35: 877-85 (1992)


Article DOI: 10.1021/jm00083a011
BindingDB Entry DOI: 10.7270/Q23R0W37
More data for this
Ligand-Target Pair