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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'buote' and Initial = 'j'   
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 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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Article
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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Article
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)
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
Receptor binding affinity determined from competitive binding assay using 1251 labelled [Sar1,Ile8] angiotensin II in rat adrenocortical membranes


Bioorg Med Chem Lett 4: 201-206 (1994)


Article DOI: 10.1016/S0960-894X(01)81147-1
BindingDB Entry DOI: 10.7270/Q2TH8MMS
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 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 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)
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)
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 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)
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
Angiotensin II AT1B


(RAT)
BDBM50282320
PNG
(2-Cyclopropyl-8-methyl-3-[2'-(2H-tetrazol-5-yl)-bi...)
Show SMILES Cc1cccc2c(C(O)=O)c(Oc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c(nc12)C1CC1
Show InChI InChI=1S/C27H21N5O3/c1-15-5-4-8-21-22(27(33)34)25(24(17-9-10-17)28-23(15)21)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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1.30E+3n/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