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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'schaeffer' and Initial = 'tr'   
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 A/B


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33)
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449917
PNG
(BMS-180560 | CHEMBL2021417)
Show SMILES [Li+].[Li]O.CCCCc1nc(Cl)c(C([O-])=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C24H22ClN7O2.2Li.H2O/c1-2-3-11-20-26-22(25)21(24(33)34)32(20)14-15-7-6-10-18-16(15)12-13-31(18)19-9-5-4-8-17(19)23-27-29-30-28-23;;;/h4-10,12-13H,2-3,11,14H2,1H3,(H,33,34)(H,27,28,29,30);;;1H2/q;2*+1;/p-2
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33)
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33)
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231140
PNG
(CHEMBL77029)
Show SMILES CCCCc1nc2ccccc2[n+]([O-])c1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H22N6O2/c1-2-3-10-22-25(31(32)23-12-7-6-11-21(23)26-22)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-9,11-16H,2-3,10H2,1H3,(H,27,28,29,30)
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4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449914
PNG
(CHEMBL2079784)
Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OC(C)OC(C)=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C28H27ClN7O4.K/c1-4-5-13-24-30-26(29)25(28(38)40-18(3)39-17(2)37)36(24)16-19-9-8-12-22-20(19)14-15-35(22)23-11-7-6-10-21(23)27-31-33-34-32-27;/h6-12,14-15,18H,4-5,13,16H2,1-3H3;/q-1;+1
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H22N6O3/c1-2-3-10-22-25(28-23-20(26(33)34)9-6-11-21(23)27-22)35-17-14-12-16(13-15-17)18-7-4-5-8-19(18)24-29-31-32-30-24/h4-9,11-15H,2-3,10H2,1H3,(H,33,34)(H,29,30,31,32)
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5.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449919
PNG
(CHEMBL2021415)
Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OCC(=O)N(CC)CC)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C30H32ClN8O3.K/c1-4-7-15-25-32-28(31)27(30(41)42-19-26(40)37(5-2)6-3)39(25)18-20-11-10-14-23-21(20)16-17-38(23)24-13-9-8-12-22(24)29-33-35-36-34-29;/h8-14,16-17H,4-7,15,18-19H2,1-3H3;/q-1;+1
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6.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50366331
PNG
(CHEMBL1790055)
Show SMILES CCCCc1nc(Cl)c(C[O-])n1Cc1cccc2n(ccc12)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23ClN7O/c1-2-3-11-22-26-23(25)21(15-33)32(22)14-16-7-6-10-19-17(16)12-13-31(19)20-9-5-4-8-18(20)24-27-29-30-28-24/h4-10,12-13H,2-3,11,14-15H2,1H3,(H,27,28,29,30)/q-1
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6.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449910
PNG
(CHEMBL2079782)
Show SMILES [K+].CCCCOC(=O)c1c(Cl)nc(CCCC)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C28H29ClN7O2.K/c1-3-5-14-24-30-26(29)25(28(37)38-17-6-4-2)36(24)18-19-10-9-13-22-20(19)15-16-35(22)23-12-8-7-11-21(23)27-31-33-34-32-27;/h7-13,15-16H,3-6,14,17-18H2,1-2H3;/q-1;+1
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7.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231150
PNG
(CHEMBL77935)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(N)ccc2[n+]1[O-]
Show InChI InChI=1S/C26H23N7O4/c1-2-3-8-21-25(28-23-20(33(21)36)14-13-19(27)22(23)26(34)35)37-16-11-9-15(10-12-16)17-6-4-5-7-18(17)24-29-31-32-30-24/h4-7,9-14H,2-3,8,27H2,1H3,(H,34,35)(H,29,30,31,32)
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7.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449912
PNG
(CHEMBL2079781)
Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OC(OC(=O)C(C)(C)C)C(C)C)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C33H37ClN7O4.K/c1-7-8-16-26-35-28(34)27(30(42)44-31(20(2)3)45-32(43)33(4,5)6)41(26)19-21-12-11-15-24-22(21)17-18-40(24)25-14-10-9-13-23(25)29-36-38-39-37-29;/h9-15,17-18,20,31H,7-8,16,19H2,1-6H3;/q-1;+1
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8.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231139
PNG
(CHEMBL77827)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(F)ccc2[n+]1[O-]
Show InChI InChI=1S/C26H21FN6O4/c1-2-3-8-21-25(28-23-20(33(21)36)14-13-19(27)22(23)26(34)35)37-16-11-9-15(10-12-16)17-6-4-5-7-18(17)24-29-31-32-30-24/h4-7,9-14H,2-3,8H2,1H3,(H,34,35)(H,29,30,31,32)
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449909
PNG
(CHEMBL2079769)
Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OC(OC(=O)C(C)C)C(C)C)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C32H35ClN7O4.K/c1-6-7-15-26-34-28(33)27(31(42)44-32(20(4)5)43-30(41)19(2)3)40(26)18-21-11-10-14-24-22(21)16-17-39(24)25-13-9-8-12-23(25)29-35-37-38-36-29;/h8-14,16-17,19-20,32H,6-7,15,18H2,1-5H3;/q-1;+1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231149
PNG
(CHEMBL306278)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(cccc2[n+]1[O-])C(O)=O
Show InChI InChI=1S/C26H22N6O4/c1-2-3-10-22-25(27-23-20(26(33)34)9-6-11-21(23)32(22)35)36-17-14-12-16(13-15-17)18-7-4-5-8-19(18)24-28-30-31-29-24/h4-9,11-15H,2-3,10H2,1H3,(H,33,34)(H,28,29,30,31)
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231143
PNG
(CHEMBL75053)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OC)ccc2[n+]1[O-]
Show InChI InChI=1S/C27H24N6O5/c1-3-4-9-21-26(28-24-20(33(21)36)14-15-22(37-2)23(24)27(34)35)38-17-12-10-16(11-13-17)18-7-5-6-8-19(18)25-29-31-32-30-25/h5-8,10-15H,3-4,9H2,1-2H3,(H,34,35)(H,29,30,31,32)
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231007
PNG
(CHEMBL74445)
Show SMILES CCCCc1nc2ccc(F)c(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H21FN6O3/c1-2-3-8-21-25(29-23-20(28-21)14-13-19(27)22(23)26(34)35)36-16-11-9-15(10-12-16)17-6-4-5-7-18(17)24-30-32-33-31-24/h4-7,9-14H,2-3,8H2,1H3,(H,34,35)(H,30,31,32,33)
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231142
PNG
(CHEMBL312068)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC(F)(F)F)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H23F3N6O5/c1-2-3-8-21-26(32-24-20(37(21)40)13-14-22(23(24)27(38)39)41-15-28(29,30)31)42-17-11-9-16(10-12-17)18-6-4-5-7-19(18)25-33-35-36-34-25/h4-7,9-14H,2-3,8,15H2,1H3,(H,38,39)(H,33,34,35,36)
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22n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449918
PNG
(BMS-181688 | CHEMBL2021416)
Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C26H25ClN7O2.K/c1-3-5-13-22-28-24(27)23(26(35)36-4-2)34(22)16-17-9-8-12-20-18(17)14-15-33(20)21-11-7-6-10-19(21)25-29-31-32-30-25;/h6-12,14-15H,3-5,13,16H2,1-2H3;/q-1;+1
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231148
PNG
(CHEMBL77376)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OC(C)C)ccc2[n+]1[O-]
Show InChI InChI=1S/C29H28N6O5/c1-4-5-10-23-28(30-26-22(35(23)38)15-16-24(39-17(2)3)25(26)29(36)37)40-19-13-11-18(12-14-19)20-8-6-7-9-21(20)27-31-33-34-32-27/h6-9,11-17H,4-5,10H2,1-3H3,(H,36,37)(H,31,32,33,34)
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449920
PNG
(CHEMBL2079768)
Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)OC(OC(=O)CC)C(C)C)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C31H33ClN7O4.K/c1-5-7-15-25-33-28(32)27(30(41)43-31(19(3)4)42-26(40)6-2)39(25)18-20-11-10-14-23-21(20)16-17-38(23)24-13-9-8-12-22(24)29-34-36-37-35-29;/h8-14,16-17,19,31H,5-7,15,18H2,1-4H3;/q-1;+1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449911
PNG
(CHEMBL2079770)
Show SMILES [K+].CCCCc1nc(Cl)c(C(=O)Oc2ccc3CCCc3c2)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C33H29ClN7O2.K/c1-2-3-14-29-35-31(34)30(33(42)43-24-16-15-21-8-6-9-22(21)19-24)41(29)20-23-10-7-13-27-25(23)17-18-40(27)28-12-5-4-11-26(28)32-36-38-39-37-32;/h4-5,7,10-13,15-19H,2-3,6,8-9,14,20H2,1H3;/q-1;+1
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231011
PNG
(CHEMBL309489)
Show SMILES CCCCc1nc2ccc(OCC)c(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C28H26N6O4/c1-3-5-10-22-27(30-25-21(29-22)15-16-23(37-4-2)24(25)28(35)36)38-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-31-33-34-32-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,31,32,33,34)
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44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H22N6O3/c1-2-3-10-22-25(28-23-20(26(33)34)9-6-11-21(23)27-22)35-17-14-12-16(13-15-17)18-7-4-5-8-19(18)24-29-31-32-30-24/h4-9,11-15H,2-3,10H2,1H3,(H,33,34)(H,29,30,31,32)
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46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H22N6O3/c1-2-3-10-22-25(28-23-20(26(33)34)9-6-11-21(23)27-22)35-17-14-12-16(13-15-17)18-7-4-5-8-19(18)24-29-31-32-30-24/h4-9,11-15H,2-3,10H2,1H3,(H,33,34)(H,29,30,31,32)
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46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231009
PNG
(CHEMBL76765)
Show SMILES CCCCOc1ccc2[n+]([O-])c(CCCC)c(Oc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)nc2c1C(O)=O
Show InChI InChI=1S/C30H30N6O5/c1-3-5-11-24-29(31-27-23(36(24)39)16-17-25(26(27)30(37)38)40-18-6-4-2)41-20-14-12-19(13-15-20)21-9-7-8-10-22(21)28-32-34-35-33-28/h7-10,12-17H,3-6,11,18H2,1-2H3,(H,37,38)(H,32,33,34,35)
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50n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231147
PNG
(CHEMBL433310)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C29H28N6O5/c1-3-5-10-23-28(30-26-22(35(23)38)15-16-24(39-17-4-2)25(26)29(36)37)40-19-13-11-18(12-14-19)20-8-6-7-9-21(20)27-31-33-34-32-27/h6-9,11-16H,3-5,10,17H2,1-2H3,(H,36,37)(H,31,32,33,34)
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68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231008
PNG
(CHEMBL75101)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C25H22N6O2/c1-2-3-11-23-25(26-21-10-6-7-12-22(21)31(23)32)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-10,12-16H,2-3,11H2,1H3,(H,27,28,29,30)
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231008
PNG
(CHEMBL75101)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C25H22N6O2/c1-2-3-11-23-25(26-21-10-6-7-12-22(21)31(23)32)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-10,12-16H,2-3,11H2,1H3,(H,27,28,29,30)
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449915
PNG
(CHEMBL2021419)
Show SMILES [Na+].O[Na].CCCCc1nc(c(C([O-])=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[nH]n1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N7O2.2Na.H2O/c1-2-3-11-20-29-22(25(26,27)28)21(24(36)37)35(20)14-15-7-6-10-18-16(15)12-13-34(18)19-9-5-4-8-17(19)23-30-32-33-31-23;;;/h4-10,12-13H,2-3,11,14H2,1H3,(H,36,37)(H,30,31,32,33);;;1H2/q;2*+1;/p-2
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282240
PNG
(CHEMBL288691 | Lithium; 2-[4-(2-butyl-5-hydroxymet...)
Show SMILES CCCCc1ncc(CO)n1Cc1cccc2n(ccc12)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C24H25N3O3/c1-2-3-11-23-25-14-18(16-28)27(23)15-17-7-6-10-21-19(17)12-13-26(21)22-9-5-4-8-20(22)24(29)30/h4-10,12-14,28H,2-3,11,15-16H2,1H3,(H,29,30)/p-1
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231144
PNG
(CHEMBL76943)
Show SMILES CCCCc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H22N6O/c1-2-3-10-23-25(27-22-12-7-6-11-21(22)26-23)32-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-28-30-31-29-24/h4-9,11-16H,2-3,10H2,1H3,(H,28,29,30,31)
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137n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231141
PNG
(CHEMBL77266)
Show SMILES CCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H20N6O3/c1-2-6-21-24(27-22-19(25(32)33)9-5-10-20(22)26-21)34-16-13-11-15(12-14-16)17-7-3-4-8-18(17)23-28-30-31-29-23/h3-5,7-14H,2,6H2,1H3,(H,32,33)(H,28,29,30,31)
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231146
PNG
(CHEMBL77185)
Show SMILES Cc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C22H16N6O2/c1-14-22(23-19-8-4-5-9-20(19)28(14)29)30-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-24-26-27-25-21/h2-13H,1H3,(H,24,25,26,27)
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550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231146
PNG
(CHEMBL77185)
Show SMILES Cc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C22H16N6O2/c1-14-22(23-19-8-4-5-9-20(19)28(14)29)30-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-24-26-27-25-21/h2-13H,1H3,(H,24,25,26,27)
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550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231008
PNG
(CHEMBL75101)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C25H22N6O2/c1-2-3-11-23-25(26-21-10-6-7-12-22(21)31(23)32)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-10,12-16H,2-3,11H2,1H3,(H,27,28,29,30)
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580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282248
PNG
(CHEMBL287065 | Lithium; 2-[5-(2-butyl-5-hydroxymet...)
Show SMILES CCCCc1ncc(CO)n1Cc1ccc2n(ccc2c1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C24H25N3O3/c1-2-3-8-23-25-14-19(16-28)27(23)15-17-9-10-21-18(13-17)11-12-26(21)22-7-5-4-6-20(22)24(29)30/h4-7,9-14,28H,2-3,8,15-16H2,1H3,(H,29,30)/p-1
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760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50449916
PNG
(CHEMBL2021418)
Show SMILES [Li+].[Li]O.CCCCc1nc(Cl)c(C([O-])=O)n1Cc1cccc2n(c(Br)c(Br)c12)-c1ccccc1-c1nn[nH]n1 |(16.45,-8.34,;18.81,-10.28,;20.35,-10.28,;2.91,-6.88,;4.05,-7.9,;5.51,-7.43,;6.65,-8.47,;8.11,-7.99,;8.6,-6.52,;10.13,-6.52,;11.04,-5.28,;10.62,-7.99,;12.08,-8.47,;13.22,-7.44,;12.38,-9.97,;9.36,-8.89,;10.46,-9.98,;10.46,-11.52,;9.11,-12.27,;9.09,-13.81,;10.43,-14.59,;11.78,-13.81,;13.29,-14.15,;14.12,-13.05,;15.59,-12.58,;13.24,-11.8,;13.71,-10.34,;11.78,-12.28,;13.33,-15.7,;12.01,-16.51,;12.06,-18.05,;13.4,-18.78,;14.7,-17.97,;14.66,-16.44,;15.98,-15.62,;16.1,-14.08,;17.58,-13.72,;18.4,-15.03,;17.4,-16.21,)|
Show InChI InChI=1S/C24H20Br2ClN7O2.2Li.H2O/c1-2-3-11-17-28-22(27)20(24(35)36)33(17)12-13-7-6-10-16-18(13)19(25)21(26)34(16)15-9-5-4-8-14(15)23-29-31-32-30-23;;;/h4-10H,2-3,11-12H2,1H3,(H,35,36)(H,29,30,31,32);;;1H2/q;2*+1;/p-2
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840n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231144
PNG
(CHEMBL76943)
Show SMILES CCCCc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H22N6O/c1-2-3-10-23-25(27-22-12-7-6-11-21(22)26-23)32-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-28-30-31-29-24/h4-9,11-16H,2-3,10H2,1H3,(H,28,29,30,31)
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2.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231006
PNG
(CHEMBL307946)
Show SMILES Cc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H16N6O/c1-14-22(24-20-9-5-4-8-19(20)23-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28)
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3.45E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231006
PNG
(CHEMBL307946)
Show SMILES Cc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H16N6O/c1-14-22(24-20-9-5-4-8-19(20)23-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28)
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3.45E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282244
PNG
(2-Butyl-3-{1-[2-(2H-tetrazol-5-yl)-phenyl]-1H-indo...)
Show SMILES CCCCc1ncc(C(O)=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H23N7O2/c1-2-3-11-22-25-14-21(24(32)33)31(22)15-16-7-6-10-19-17(16)12-13-30(19)20-9-5-4-8-18(20)23-26-28-29-27-23/h4-10,12-14H,2-3,11,15H2,1H3,(H,32,33)(H,26,27,28,29)
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3.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50282254
PNG
(CHEMBL36259 | Potassium; 2-[6-(2-butyl-4-chloro-5-...)
Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc2nc(oc2c1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C23H20ClN3O4/c1-2-3-8-20-26-21(24)18(13-28)27(20)12-14-9-10-17-19(11-14)31-22(25-17)15-6-4-5-7-16(15)23(29)30/h4-7,9-11,13H,2-3,8,12H2,1H3,(H,29,30)/p-1
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6.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- labeled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50449917
PNG
(BMS-180560 | CHEMBL2021417)
Show SMILES [Li+].[Li]O.CCCCc1nc(Cl)c(C([O-])=O)n1Cc1cccc2n(ccc12)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C24H22ClN7O2.2Li.H2O/c1-2-3-11-20-26-22(25)21(24(33)34)32(20)14-15-7-6-10-18-16(15)12-13-31(18)19-9-5-4-8-17(19)23-27-29-30-28-23;;;/h4-10,12-13H,2-3,11,14H2,1H3,(H,33,34)(H,27,28,29,30);;;1H2/q;2*+1;/p-2
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6.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Receptor binding affinity for Angiotensin II receptor, type 2 determined


Bioorg Med Chem Lett 4: 145-150 (1994)


Article DOI: 10.1016/S0960-894X(01)81137-9
BindingDB Entry DOI: 10.7270/Q2V988KF
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231146
PNG
(CHEMBL77185)
Show SMILES Cc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C22H16N6O2/c1-14-22(23-19-8-4-5-9-20(19)28(14)29)30-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-24-26-27-25-21/h2-13H,1H3,(H,24,25,26,27)
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2.44E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231006
PNG
(CHEMBL307946)
Show SMILES Cc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H16N6O/c1-14-22(24-20-9-5-4-8-19(20)23-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28)
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4.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403254
PNG
(CHEMBL51389)
Show SMILES OC(=O)CN1c2ccccc2OC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O5S/c24-19(25)11-23-17-8-4-5-9-18(17)28-12-16(21(23)27)22-20(26)15(13-29)10-14-6-2-1-3-7-14/h1-9,15-16,29H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403250
PNG
(CHEMBL51780)
Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)11-23-17-8-4-5-9-18(17)29-13-16(21(23)27)22-20(26)15(12-28)10-14-6-2-1-3-7-14/h1-9,15-16,28H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403253
PNG
(CHEMBL301751)
Show SMILES OC(=O)CCN1c2ccccc2OC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O5S/c24-19(25)10-11-23-16-8-4-5-9-17(16)28-13-15(21(23)27)22-20(26)18(29)12-14-6-2-1-3-7-14/h1-9,15,18,29H,10-13H2,(H,22,26)(H,24,25)/t15-,18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403257
PNG
(CHEMBL51438)
Show SMILES OC(=O)CCN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C23H26N2O4S/c26-21(27)12-13-25-20-9-5-4-8-17(20)10-11-19(23(25)29)24-22(28)18(15-30)14-16-6-2-1-3-7-16/h1-9,18-19,30H,10-15H2,(H,24,28)(H,26,27)/t18-,19+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


Bioorg Med Chem Lett 4: 1789-1794 (1994)


Article DOI: 10.1016/S0960-894X(01)80372-3
BindingDB Entry DOI: 10.7270/Q22Z16PQ
More data for this
Ligand-Target Pair
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