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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'delaney' and Initial = 'cl'   
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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(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
Angiotensin II AT1B


(RAT)
BDBM50004154
PNG
(2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(O)=O |c:7,t:4|
Show InChI InChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50004155
PNG
(2-Butyl-6-chloro-4,4-dimethyl-1-[2'-(1H-tetrazol-5...)
Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4,14|
Show InChI InChI=1S/C27H31ClN6O2/c1-5-7-12-22-29-27(3,4)23(26(35)36-6-2)24(28)34(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25-30-32-33-31-25/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,30,31,32,33)
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(RAT)
BDBM50282324
PNG
(2-Cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2cccnc12)C1CC1
Show InChI InChI=1S/C25H18N6O3/c32-25(33)20-22-19(6-3-13-26-22)27-21(15-7-8-15)23(20)34-16-11-9-14(10-12-16)17-4-1-2-5-18(17)24-28-30-31-29-24/h1-6,9-13,15H,7-8H2,(H,32,33)(H,28,29,30,31)
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50049201
PNG
(2-Cyclopropyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1c(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2ccccc12)C1CC1
Show InChI InChI=1S/C27H21N5O3/c33-27(34)23-21-7-3-4-8-22(21)28-24(18-13-14-18)25(23)35-15-16-9-11-17(12-10-16)19-5-1-2-6-20(19)26-29-31-32-30-26/h1-12,18H,13-15H2,(H,33,34)(H,29,30,31,32)
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50282318
PNG
(2-Methyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-yloxy...)
Show SMILES Cc1nc2ccccc2c(C(O)=O)c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H17N5O3/c1-14-22(21(24(30)31)19-8-4-5-9-20(19)25-14)32-16-12-10-15(11-13-16)17-6-2-3-7-18(17)23-26-28-29-27-23/h2-13H,1H3,(H,30,31)(H,26,27,28,29)
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50282322
PNG
(2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-yloxy...)
Show SMILES CCCc1nc2ccccc2c(C(O)=O)c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C26H21N5O3/c1-2-7-22-24(23(26(32)33)20-10-5-6-11-21(20)27-22)34-17-14-12-16(13-15-17)18-8-3-4-9-19(18)25-28-30-31-29-25/h3-6,8-15H,2,7H2,1H3,(H,32,33)(H,28,29,30,31)
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3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231140
PNG
(CHEMBL77029)
Show SMILES CCCCc1nc2ccccc2[n+]([O-])c1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(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
Angiotensin II AT1B


(RAT)
BDBM50282316
PNG
(2-Cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2ncccc12)C1CC1
Show InChI InChI=1S/C25H18N6O3/c32-25(33)20-19-6-3-13-26-23(19)27-21(15-7-8-15)22(20)34-16-11-9-14(10-12-16)17-4-1-2-5-18(17)24-28-30-31-29-24/h1-6,9-13,15H,7-8H2,(H,32,33)(H,28,29,30,31)
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4.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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5.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(RAT)
BDBM50282315
PNG
(2-Ethyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-yloxy]...)
Show SMILES CCc1nc2ccccc2c(C(O)=O)c1Oc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H19N5O3/c1-2-20-23(22(25(31)32)19-9-5-6-10-21(19)26-20)33-16-13-11-15(12-14-16)17-7-3-4-8-18(17)24-27-29-30-28-24/h3-14H,2H2,1H3,(H,31,32)(H,27,28,29,30)
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5.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
Angiotensin II AT1B


(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
Angiotensin II AT1B


(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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231150
PNG
(CHEMBL77935)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(N)ccc2[n+]1[O-]
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7.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(RAT)
BDBM50004164
PNG
(2-Butyl-4-chloro-6-methyl-1-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1)C(=O)OCC |c:7,t:4|
Show InChI InChI=1S/C26H28ClN6O2/c1-4-6-11-22-28-24(27)23(26(34)35-5-2)17(3)33(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25-29-31-32-30-25/h7-10,12-15,17H,4-6,11,16H2,1-3H3/q-1
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8.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
Angiotensin II AT1B


(RAT)
BDBM50406795
PNG
(Cozaar | LOSARTAN POTASSIUM)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C22H22ClN6O/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/q-1
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231139
PNG
(CHEMBL77827)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(F)ccc2[n+]1[O-]
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(RAT)
BDBM50282317
PNG
(2-Cyclopropyl-5-methyl-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES Cc1cccc2nc(C3CC3)c(Oc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(C(O)=O)c12
Show InChI InChI=1S/C27H21N5O3/c1-15-5-4-8-21-22(15)23(27(33)34)25(24(28-21)17-9-10-17)35-18-13-11-16(12-14-18)19-6-2-3-7-20(19)26-29-31-32-30-26/h2-8,11-14,17H,9-10H2,1H3,(H,33,34)(H,29,30,31,32)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
Angiotensin II AT1B


(RAT)
BDBM50282319
PNG
(2-Cyclopropyl-6-fluoro-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2ccc(F)cc12)C1CC1
Show InChI InChI=1S/C26H18FN5O3/c27-16-9-12-21-20(13-16)22(26(33)34)24(23(28-21)15-5-6-15)35-17-10-7-14(8-11-17)18-3-1-2-4-19(18)25-29-31-32-30-25/h1-4,7-13,15H,5-6H2,(H,33,34)(H,29,30,31,32)
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231149
PNG
(CHEMBL306278)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(cccc2[n+]1[O-])C(O)=O
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231143
PNG
(CHEMBL75053)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OC)ccc2[n+]1[O-]
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231007
PNG
(CHEMBL74445)
Show SMILES CCCCc1nc2ccc(F)c(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(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-]
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22n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(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
Angiotensin II receptor (AT-1) type-1


(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-]
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(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
Angiotensin II AT1B


(RAT)
BDBM50282321
PNG
(7-Chloro-2-cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES OC(=O)c1c(Oc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(nc2cc(Cl)ccc12)C1CC1
Show InChI InChI=1S/C26H18ClN5O3/c27-16-9-12-20-21(13-16)28-23(15-5-6-15)24(22(20)26(33)34)35-17-10-7-14(8-11-17)18-3-1-2-4-19(18)25-29-31-32-30-25/h1-4,7-13,15H,5-6H2,(H,33,34)(H,29,30,31,32)
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50282313
PNG
(2-Cyclopropyl-6-methoxy-3-[2'-(2H-tetrazol-5-yl)-b...)
Show SMILES COc1ccc2nc(C3CC3)c(Oc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(C(O)=O)c2c1
Show InChI InChI=1S/C27H21N5O4/c1-35-18-12-13-22-21(14-18)23(27(33)34)25(24(28-22)16-6-7-16)36-17-10-8-15(9-11-17)19-4-2-3-5-20(19)26-29-31-32-30-26/h2-5,8-14,16H,6-7H2,1H3,(H,33,34)(H,29,30,31,32)
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(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
Angiotensin II AT1B


(RAT)
BDBM50004153
PNG
(2-Butyl-1-(2'-carboxy-biphenyl-4-ylmethyl)-4-chlor...)
Show SMILES CCCCC1=NC(Cl)=C(C(C)N1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)OCC |c:7,t:4|
Show InChI InChI=1S/C26H29ClN2O4/c1-4-6-11-22-28-24(27)23(26(32)33-5-2)17(3)29(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31/h7-10,12-15,17H,4-6,11,16H2,1-3H3,(H,30,31)
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41n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231011
PNG
(CHEMBL309489)
Show SMILES CCCCc1nc2ccc(OCC)c(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
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46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231009
PNG
(CHEMBL76765)
Show SMILES CCCCOc1ccc2[n+]([O-])c(CCCC)c(Oc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)nc2c1C(O)=O
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50n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(RAT)
BDBM50004160
PNG
(CHEMBL145036 | Sodium; 4'-(2-butyl-6-chloro-5-etho...)
Show SMILES CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(cc1)-c1ccccc1C([O-])=O |t:4,14|
Show InChI InChI=1S/C27H31ClN2O4/c1-5-7-12-22-29-27(3,4)23(26(33)34-6-2)24(28)30(22)17-18-13-15-19(16-14-18)20-10-8-9-11-21(20)25(31)32/h8-11,13-16H,5-7,12,17H2,1-4H3,(H,31,32)/p-1
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58n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231147
PNG
(CHEMBL433310)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCCC)ccc2[n+]1[O-]
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68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231008
PNG
(CHEMBL75101)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II receptor (AT-1) type-1


(RAT)
BDBM50231008
PNG
(CHEMBL75101)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




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
Angiotensin II AT1B


(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
Angiotensin II AT1B


(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
Angiotensin II AT1B


(RAT)
BDBM50004163
PNG
(CHEMBL342287 | Sodium; 4'-(2-butyl-5-ethoxycarbony...)
Show SMILES CCCCc1ncc(C(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1C([O-])=O
Show InChI InChI=1S/C25H26N2O5/c1-3-5-10-22-26-15-21(25(31)32-4-2)23(28)27(22)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(29)30/h6-9,11-15H,3-5,10,16H2,1-2H3,(H,29,30)/p-1
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82n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal corticcal membrane angiotensin II receptor


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
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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95n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro antagonistic potency against angiotensin II receptor using [125I]- Sar,Ile8-angiotensin II as the radioligand in rat adrenal cortical membra...


J Med Chem 35: 4751-63 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5PFJ
More data for this
Ligand-Target Pair
Angiotensin II AT1B


(RAT)
BDBM50282323
PNG
(2-Cyclopropyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-...)
Show SMILES OC(=O)c1cccc2nc(C3CC3)c(Oc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(C(O)=O)c12
Show InChI InChI=1S/C27H19N5O5/c33-26(34)19-6-3-7-20-21(19)22(27(35)36)24(23(28-20)15-8-9-15)37-16-12-10-14(11-13-16)17-4-1-2-5-18(17)25-29-31-32-30-25/h1-7,10-13,15H,8-9H2,(H,33,34)(H,35,36)(H,29,30,31,32)
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]Sar1,Ile8 angiotensin II binding to Angiotensin II receptor type 1 in rat adrenocortical membrane


Bioorg Med Chem Lett 4: 195-200 (1994)


Article DOI: 10.1016/S0960-894X(01)81146-X
BindingDB Entry DOI: 10.7270/Q2Z60P13
More data for this
Ligand-Target Pair
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