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Compile Data Set for Download or QSAR

Found 297 hits with Last Name = 'osswald' and Initial = 'm'   
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
Endothelin-1 receptor


(RAT)
BDBM50070888
PNG
(CHEMBL298725 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...)
Show SMILES COc1ccc(cc1F)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C27H23FN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-
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n/an/a 0.0320n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50069575
PNG
(3-Benzo[1,2,5]thiadiazol-5-yl-5-hydroxy-5-(4-metho...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2nsnc2c1 |c:14|
Show InChI InChI=1S/C27H24N2O7S/c1-32-18-8-6-17(7-9-18)27(31)19(11-15-12-22(33-2)25(35-4)23(13-15)34-3)24(26(30)36-27)16-5-10-20-21(14-16)29-37-28-20/h5-10,12-14,31H,11H2,1-4H3
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n/an/a 0.300n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor


Bioorg Med Chem Lett 8: 17-22 (1999)


BindingDB Entry DOI: 10.7270/Q23B5Z9H
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070884
PNG
(CHEMBL48907 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C27H24N2O7S/c1-33-18-8-5-16(6-9-18)25(30)19(11-15-12-22(34-2)26(36-4)23(13-15)35-3)24(27(31)32)17-7-10-20-21(14-17)29-37-28-20/h5-10,12-14H,11H2,1-4H3,(H,31,32)/p-1/b24-19-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034267
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-5-(4-methox...)
Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1 |c:14|
Show InChI InChI=1S/C28H26O9/c1-31-19-8-6-18(7-9-19)28(30)20(11-16-12-23(32-2)26(34-4)24(13-16)33-3)25(27(29)37-28)17-5-10-21-22(14-17)36-15-35-21/h5-10,12-14,30H,11,15H2,1-4H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor


Bioorg Med Chem Lett 8: 17-22 (1999)


BindingDB Entry DOI: 10.7270/Q23B5Z9H
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285171
PNG
(2-{2,6-Dioxo-4-propyl-3-[2'-(1H-tetrazol-5-yl)-bip...)
Show SMILES CCCc1cc(=O)n(CC(=O)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H27N7O3/c1-4-7-19-14-22(33)32(16-23(34)30(2)3)25(35)31(19)15-17-10-12-18(13-11-17)20-8-5-6-9-21(20)24-26-28-29-27-24/h5-6,8-14H,4,7,15-16H2,1-3H3,(H,26,27,28,29)
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TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285833
PNG
(1N,1N-dimethyl-2-(2-butyl-4-oxo-3-{4-[2-(1H-1,2,3,...)
Show SMILES CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[n-]n1
Show InChI InChI=1S/C28H29N8O2/c1-4-5-10-24-29-23-15-16-35(18-25(37)34(2)3)28(38)26(23)36(24)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)27-30-32-33-31-27/h6-9,11-16H,4-5,10,17-18H2,1-3H3/q-1
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070886
PNG
(CHEMBL51234 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...)
Show SMILES COc1ccc(cc1Cl)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C27H23ClN2O7S/c1-34-21-8-6-16(12-18(21)28)25(31)17(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-7-19-20(13-15)30-38-29-19/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-17-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50034263
PNG
(CHEMBL25438 | PD-156707 | Sodium; (Z)-2-benzo[1,3]...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H26O9/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21/h5-10,12-14H,11,15H2,1-4H3,(H,30,31)/p-1/b25-20-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070881
PNG
(CHEMBL295483 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...)
Show SMILES COc1ccc(cc1C)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C28H26N2O7S/c1-15-10-18(7-9-22(15)34-2)26(31)19(11-16-12-23(35-3)27(37-5)24(13-16)36-4)25(28(32)33)17-6-8-20-21(14-17)30-38-29-20/h6-10,12-14H,11H2,1-5H3,(H,32,33)/p-1/b25-19-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285164
PNG
(1-Cyclohexyl-3-(2-{2,6-dioxo-4-propyl-3-[2'-(1H-te...)
Show SMILES CCCc1cc(=O)n(CCNC(=O)NC2CCCCC2)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H36N8O3/c1-2-8-24-19-27(39)37(18-17-31-29(40)32-23-9-4-3-5-10-23)30(41)38(24)20-21-13-15-22(16-14-21)25-11-6-7-12-26(25)28-33-35-36-34-28/h6-7,11-16,19,23H,2-5,8-10,17-18,20H2,1H3,(H2,31,32,40)(H,33,34,35,36)
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TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285165
PNG
(2-{2,6-Dioxo-4-propyl-3-[2'-(1H-tetrazol-5-yl)-bip...)
Show SMILES CCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H28N6O4/c1-3-8-23-17-27(37)36(19-22-9-4-5-11-25(22)29(38)40-2)30(39)35(23)18-20-13-15-21(16-14-20)24-10-6-7-12-26(24)28-31-33-34-32-28/h4-7,9-17H,3,8,18-19H2,1-2H3,(H,31,32,33,34)
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TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285163
PNG
(2-{4-Butyl-2,6-dioxo-3-[2'-(1H-tetrazol-5-yl)-biph...)
Show SMILES CCCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H30N6O4/c1-3-4-10-24-18-28(38)37(20-23-9-5-6-12-26(23)30(39)41-2)31(40)36(24)19-21-14-16-22(17-15-21)25-11-7-8-13-27(25)29-32-34-35-33-29/h5-9,11-18H,3-4,10,19-20H2,1-2H3,(H,32,33,34,35)
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TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285818
PNG
(2-Butyl-5-(2-morpholin-4-yl-2-oxo-1-phenyl-ethyl)-...)
Show SMILES CCCCc1nc2ccn(C(C(=O)N3CCOCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C36H36N8O3/c1-2-3-13-31-37-30-18-19-43(32(27-9-5-4-6-10-27)35(45)42-20-22-47-23-21-42)36(46)33(30)44(31)24-25-14-16-26(17-15-25)28-11-7-8-12-29(28)34-38-40-41-39-34/h4-12,14-19,32H,2-3,13,20-24H2,1H3,(H,38,39,40,41)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285832
PNG
(2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccn(C(C(N)=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C32H30N8O2/c1-2-3-13-27-34-26-18-19-39(28(30(33)41)23-9-5-4-6-10-23)32(42)29(26)40(27)20-21-14-16-22(17-15-21)24-11-7-8-12-25(24)31-35-37-38-36-31/h4-12,14-19,28H,2-3,13,20H2,1H3,(H2,33,41)(H,35,36,37,38)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070882
PNG
((Z)-2-Benzo[1,2,5]thiadiazol-5-yl-4-(2-fluoro-4-me...)
Show SMILES COc1ccc(C(=O)C(\Cc2cc(OC)c(OC)c(OC)c2)=C(/C([O-])=O)c2ccc3nsnc3c2)c(F)c1
Show InChI InChI=1S/C27H23FN2O7S/c1-34-16-6-7-17(19(28)13-16)25(31)18(9-14-10-22(35-2)26(37-4)23(11-14)36-3)24(27(32)33)15-5-8-20-21(12-15)30-38-29-20/h5-8,10-13H,9H2,1-4H3,(H,32,33)/p-1/b24-18-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285820
PNG
(CHEMBL88663 | {2-Ethyl-4-oxo-3-[2'-(1H-tetrazol-5-...)
Show SMILES CCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C33H31N7O3/c1-4-28-34-27-18-19-39(29(33(42)43-21(2)3)24-10-6-5-7-11-24)32(41)30(27)40(28)20-22-14-16-23(17-15-22)25-12-8-9-13-26(25)31-35-37-38-36-31/h5-19,21,29H,4,20H2,1-3H3,(H,35,36,37,38)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285829
PNG
(CHEMBL314603 | {4-Oxo-2-propyl-3-[2'-(1H-tetrazol-...)
Show SMILES CCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C34H33N7O3/c1-4-10-29-35-28-19-20-40(30(34(43)44-22(2)3)25-11-6-5-7-12-25)33(42)31(28)41(29)21-23-15-17-24(18-16-23)26-13-8-9-14-27(26)32-36-38-39-37-32/h5-9,11-20,22,30H,4,10,21H2,1-3H3,(H,36,37,38,39)
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285166
PNG
(3-Allyl-6-propyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCc1cc(=O)n(CC=C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C24H24N6O2/c1-3-7-19-15-22(31)29(14-4-2)24(32)30(19)16-17-10-12-18(13-11-17)20-8-5-6-9-21(20)23-25-27-28-26-23/h4-6,8-13,15H,2-3,7,14,16H2,1H3,(H,25,26,27,28)
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n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070890
PNG
(CHEMBL51890 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C25H20N2O5S/c1-31-18-9-6-16(7-10-18)24(28)20(13-15-4-3-5-19(12-15)32-2)23(25(29)30)17-8-11-21-22(14-17)27-33-26-21/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-20-
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n/an/a 3.40n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070871
PNG
(CHEMBL431160 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1OC)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C25H20N2O5S/c1-31-18-10-7-15(8-11-18)24(28)19(13-16-5-3-4-6-22(16)32-2)23(25(29)30)17-9-12-20-21(14-17)27-33-26-20/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-19-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285160
PNG
(CHEMBL292781 | N-(2-{2,6-Dioxo-4-propyl-3-[2'-(1H-...)
Show SMILES CCCc1cc(=O)n(CCNC(C)=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H27N7O3/c1-3-6-20-15-23(34)31(14-13-26-17(2)33)25(35)32(20)16-18-9-11-19(12-10-18)21-7-4-5-8-22(21)24-27-29-30-28-24/h4-5,7-12,15H,3,6,13-14,16H2,1-2H3,(H,26,33)(H,27,28,29,30)
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n/an/a 3.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070877
PNG
(CHEMBL262000 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc2OCCc2c1)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C26H20N2O5S/c1-32-19-6-3-16(4-7-19)25(29)20(13-15-2-9-23-17(12-15)10-11-33-23)24(26(30)31)18-5-8-21-22(14-18)28-34-27-21/h2-9,12,14H,10-11,13H2,1H3,(H,30,31)/p-1/b24-20-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285834
PNG
(2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccn(C(C(=O)N(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C34H34N8O2/c1-4-5-15-29-35-28-20-21-41(30(33(43)40(2)3)25-11-7-6-8-12-25)34(44)31(28)42(29)22-23-16-18-24(19-17-23)26-13-9-10-14-27(26)32-36-38-39-37-32/h6-14,16-21,30H,4-5,15,22H2,1-3H3,(H,36,37,38,39)
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TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50075421
PNG
(7-(Ethyl-methanesulfonyl-amino)-1-(2-methoxy-benzy...)
Show SMILES CCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(O)=O)c(=O)n(Cc3ccccc3OC)c21)S(C)(=O)=O
Show InChI InChI=1S/C30H28N2O8S/c1-5-32(41(4,36)37)20-12-15-22-24(16-20)40-28-25(18-10-13-21(38-2)14-11-18)26(30(34)35)29(33)31(27(22)28)17-19-8-6-7-9-23(19)39-3/h6-16H,5,17H2,1-4H3,(H,34,35)
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n/an/a 3.60n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes


Bioorg Med Chem Lett 9: 619-22 (1999)


BindingDB Entry DOI: 10.7270/Q2DB811P
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070873
PNG
(CHEMBL301577 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...)
Show SMILES COc1cc(C\C(C(=O)c2cc(OC)c(OC)c(OC)c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC
Show InChI InChI=1S/C29H28N2O9S/c1-35-21-10-15(11-22(36-2)27(21)39-5)9-18(25(29(33)34)16-7-8-19-20(12-16)31-41-30-19)26(32)17-13-23(37-3)28(40-6)24(14-17)38-4/h7-8,10-14H,9H2,1-6H3,(H,33,34)/p-1/b25-18-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50450370
PNG
(CHEMBL313691)
Show SMILES [H][C@@]12C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C |c:14|
Show InChI InChI=1S/C43H61NO15/c1-21(2)17-26(44-38(52)59-39(6,7)8)31(48)37(51)56-27-19-43(53)35(57-36(50)25-15-13-12-14-16-25)33-41(11,28(47)18-29-42(33,20-54-29)58-24(5)46)34(49)32(55-23(4)45)30(22(27)3)40(43,9)10/h12-16,21,26-29,31-35,47-49,53H,17-20H2,1-11H3,(H,44,52)/t26-,27-,28-,29+,31+,32+,33-,34-,35-,41+,42-,43+/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285813
PNG
(CHEMBL316063 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5...)
Show SMILES CCCCc1nc2ccn(C(C(=O)OC)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C33H31N7O3/c1-3-4-14-28-34-27-19-20-39(29(33(42)43-2)24-10-6-5-7-11-24)32(41)30(27)40(28)21-22-15-17-23(18-16-22)25-12-8-9-13-26(25)31-35-37-38-36-31/h5-13,15-20,29H,3-4,14,21H2,1-2H3,(H,35,36,37,38)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285821
PNG
(2-Butyl-5-(2-oxo-1-phenyl-propyl)-3-[2'-(1H-tetraz...)
Show SMILES CCCCc1nc2ccn(C(C(C)=O)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C33H31N7O2/c1-3-4-14-29-34-28-19-20-39(30(22(2)41)25-10-6-5-7-11-25)33(42)31(28)40(29)21-23-15-17-24(18-16-23)26-12-8-9-13-27(26)32-35-37-38-36-32/h5-13,15-20,30H,3-4,14,21H2,1-2H3,(H,35,36,37,38)
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n/an/a 4.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285816
PNG
(2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccn(C(C(=O)N(CC)CC)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C36H38N8O2/c1-4-7-17-31-37-30-22-23-43(32(27-13-9-8-10-14-27)35(45)42(5-2)6-3)36(46)33(30)44(31)24-25-18-20-26(21-19-25)28-15-11-12-16-29(28)34-38-40-41-39-34/h8-16,18-23,32H,4-7,17,24H2,1-3H3,(H,38,39,40,41)
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n/an/a 4.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285177
PNG
(6-Propyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCc1cc(=O)[nH]c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C21H20N6O2/c1-2-5-16-12-19(28)22-21(29)27(16)13-14-8-10-15(11-9-14)17-6-3-4-7-18(17)20-23-25-26-24-20/h3-4,6-12H,2,5,13H2,1H3,(H,22,28,29)(H,23,24,25,26)
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n/an/a 4.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285835
PNG
(2-Butyl-5-(2-oxo-1-phenyl-2-piperidin-1-yl-ethyl)-...)
Show SMILES CCCCc1nc2ccn(C(C(=O)N3CCCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C37H38N8O2/c1-2-3-16-32-38-31-21-24-44(33(28-12-6-4-7-13-28)36(46)43-22-10-5-11-23-43)37(47)34(31)45(32)25-26-17-19-27(20-18-26)29-14-8-9-15-30(29)35-39-41-42-40-35/h4,6-9,12-15,17-21,24,33H,2-3,5,10-11,16,22-23,25H2,1H3,(H,39,40,41,42)
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n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50285173
PNG
(2-(2-{2,6-Dioxo-4-propyl-3-[2'-(1H-tetrazol-5-yl)-...)
Show SMILES CCCc1cc(=O)n(CCN2C(=O)c3ccccc3C2=O)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H27N7O4/c1-2-7-22-18-27(39)36(16-17-37-29(40)25-10-5-6-11-26(25)30(37)41)31(42)38(22)19-20-12-14-21(15-13-20)23-8-3-4-9-24(23)28-32-34-35-33-28/h3-6,8-15,18H,2,7,16-17,19H2,1H3,(H,32,33,34,35)
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n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285167
PNG
(6-Butyl-3-methyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1cc(=O)n(C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H24N6O2/c1-3-4-7-18-14-21(30)28(2)23(31)29(18)15-16-10-12-17(13-11-16)19-8-5-6-9-20(19)22-24-26-27-25-22/h5-6,8-14H,3-4,7,15H2,1-2H3,(H,24,25,26,27)
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n/an/a 4.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070892
PNG
(CHEMBL299572 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...)
Show SMILES COc1cccc(c1)C(=O)C(\Cc1cc(OC)c(OC)c(OC)c1)=C(/C([O-])=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C27H24N2O7S/c1-33-18-7-5-6-17(13-18)25(30)19(10-15-11-22(34-2)26(36-4)23(12-15)35-3)24(27(31)32)16-8-9-20-21(14-16)29-37-28-20/h5-9,11-14H,10H2,1-4H3,(H,31,32)/p-1/b24-19-
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Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285826
PNG
(2-{2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc2ccn(C(C(=O)NC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C35H36N8O2/c1-4-5-15-30-37-29-20-21-42(31(34(44)36-23(2)3)26-11-7-6-8-12-26)35(45)32(29)43(30)22-24-16-18-25(19-17-24)27-13-9-10-14-28(27)33-38-40-41-39-33/h6-14,16-21,23,31H,4-5,15,22H2,1-3H3,(H,36,44)(H,38,39,40,41)
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n/an/a 5.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50285175
PNG
(7-Propyl-6-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCCc1cc2ncnn2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C22H20N8O/c1-2-5-17-12-20-23-14-24-30(20)22(31)29(17)13-15-8-10-16(11-9-15)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-4,6-12,14H,2,5,13H2,1H3,(H,25,26,27,28)
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n/an/a 6.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50070876
PNG
(CHEMBL299328 | Sodium; (Z)-4-benzo[1,3]dioxol-5-yl...)
Show SMILES COc1cc(C\C(C(=O)c2ccc3OCOc3c2)=C(\C([O-])=O)c2ccc3nsnc3c2)cc(OC)c1OC
Show InChI InChI=1S/C27H22N2O8S/c1-33-22-9-14(10-23(34-2)26(22)35-3)8-17(25(30)16-5-7-20-21(12-16)37-13-36-20)24(27(31)32)15-4-6-18-19(11-15)29-38-28-18/h4-7,9-12H,8,13H2,1-3H3,(H,31,32)/p-1/b24-17-
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n/an/a 6.5n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285814
PNG
(CHEMBL88170 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-...)
Show SMILES CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C35H35N7O3/c1-4-5-15-30-36-29-20-21-41(31(35(44)45-23(2)3)26-11-7-6-8-12-26)34(43)32(29)42(30)22-24-16-18-25(19-17-24)27-13-9-10-14-28(27)33-37-39-40-38-33/h6-14,16-21,23,31H,4-5,15,22H2,1-3H3,(H,37,38,39,40)
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n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285822
PNG
(CHEMBL420607 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5...)
Show SMILES CCCCc1nc2ccn(C(C(=O)OCC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C36H37N7O3/c1-4-5-15-31-37-30-20-21-42(32(27-11-7-6-8-12-27)36(45)46-23-24(2)3)35(44)33(30)43(31)22-25-16-18-26(19-17-25)28-13-9-10-14-29(28)34-38-40-41-39-34/h6-14,16-21,24,32H,4-5,15,22-23H2,1-3H3,(H,38,39,40,41)
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n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285812
PNG
(2-Butyl-5-(3,3-dimethyl-2-oxo-1-phenyl-butyl)-3-[2...)
Show SMILES CCCCc1nc2ccn(C(C(=O)C(C)(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C36H37N7O2/c1-5-6-16-30-37-29-21-22-42(31(33(44)36(2,3)4)26-12-8-7-9-13-26)35(45)32(29)43(30)23-24-17-19-25(20-18-24)27-14-10-11-15-28(27)34-38-40-41-39-34/h7-15,17-22,31H,5-6,16,23H2,1-4H3,(H,38,39,40,41)
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n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285815
PNG
(CHEMBL88600 | {4-Oxo-2-pentyl-3-[2'-(1H-tetrazol-5...)
Show SMILES CCCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C36H37N7O3/c1-4-5-7-16-31-37-30-21-22-42(32(36(45)46-24(2)3)27-12-8-6-9-13-27)35(44)33(30)43(31)23-25-17-19-26(20-18-25)28-14-10-11-15-29(28)34-38-40-41-39-34/h6,8-15,17-22,24,32H,4-5,7,16,23H2,1-3H3,(H,38,39,40,41)
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n/an/a 7.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50057155
PNG
((Z)-2-Benzo[1,3]dioxol-5-yl-3-benzyl-4-(4-methoxy-...)
Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccccc1)=C(/C([O-])=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H20O6/c1-29-19-10-7-17(8-11-19)24(26)20(13-16-5-3-2-4-6-16)23(25(27)28)18-9-12-21-22(14-18)31-15-30-21/h2-12,14H,13,15H2,1H3,(H,27,28)/p-1/b23-20-
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n/an/a 7.40n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor


Bioorg Med Chem Lett 8: 1771-6 (1999)


BindingDB Entry DOI: 10.7270/Q2TM7BM4
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285825
PNG
(2-Butyl-5-(2-oxo-1,2-diphenyl-ethyl)-3-[2'-(1H-tet...)
Show SMILES CCCCc1nc2ccn(C(C(=O)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C38H33N7O2/c1-2-3-18-33-39-32-23-24-44(34(28-12-6-4-7-13-28)36(46)29-14-8-5-9-15-29)38(47)35(32)45(33)25-26-19-21-27(22-20-26)30-16-10-11-17-31(30)37-40-42-43-41-37/h4-17,19-24,34H,2-3,18,25H2,1H3,(H,40,41,42,43)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(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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n/an/a 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
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 |t:4|
Show InChI InChI=1S/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 8.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in rat adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50075429
PNG
(7-(Methanesulfonyl-methyl-amino)-1-(2-methoxy-benz...)
Show SMILES COc1ccc(cc1)-c1c(C(O)=O)c(=O)n(Cc2ccccc2OC)c2c3ccc(cc3oc12)N(C)S(C)(=O)=O
Show InChI InChI=1S/C29H26N2O8S/c1-30(40(4,35)36)19-11-14-21-23(15-19)39-27-24(17-9-12-20(37-2)13-10-17)25(29(33)34)28(32)31(26(21)27)16-18-7-5-6-8-22(18)38-3/h5-15H,16H2,1-4H3,(H,33,34)
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n/an/a 8.60n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Ability to displace [125I]-Endothelin-1 from endothelin B receptor in porcine kidney membranes


Bioorg Med Chem Lett 9: 619-22 (1999)


BindingDB Entry DOI: 10.7270/Q2DB811P
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285824
PNG
(CHEMBL314605 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5...)
Show SMILES CCCCc1nc2ccn(C(C(=O)OC3CCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C37H37N7O3/c1-2-3-17-32-38-31-22-23-43(33(27-11-5-4-6-12-27)37(46)47-28-13-7-8-14-28)36(45)34(31)44(32)24-25-18-20-26(21-19-25)29-15-9-10-16-30(29)35-39-41-42-40-35/h4-6,9-12,15-16,18-23,28,33H,2-3,7-8,13-14,17,24H2,1H3,(H,39,40,41,42)
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n/an/a 8.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50285836
PNG
(CHEMBL92206 | {2-Butyl-4-oxo-3-[2'-(1H-tetrazol-5-...)
Show SMILES CCCCc1nc2ccn(C(C(=O)OC(C)C)c3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C35H34ClN7O3/c1-4-5-10-30-37-29-19-20-42(31(35(45)46-22(2)3)25-15-17-26(36)18-16-25)34(44)32(29)43(30)21-23-11-13-24(14-12-23)27-8-6-7-9-28(27)33-38-40-41-39-33/h6-9,11-20,22,31H,4-5,10,21H2,1-3H3,(H,38,39,40,41)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity determined against angiotensin II AT1 receptor in rat adrenal cortex preparation


Bioorg Med Chem Lett 5: 2665-2670 (1995)


Article DOI: 10.1016/0960-894X(95)00477-B
BindingDB Entry DOI: 10.7270/Q2ZW1KVW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50285171
PNG
(2-{2,6-Dioxo-4-propyl-3-[2'-(1H-tetrazol-5-yl)-bip...)
Show SMILES CCCc1cc(=O)n(CC(=O)N(C)C)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C25H27N7O3/c1-4-7-19-14-22(33)32(16-23(34)30(2)3)25(35)31(19)15-17-10-12-18(13-11-17)20-8-5-6-9-21(20)24-26-28-29-27-24/h5-6,8-14H,4,7,15-16H2,1-3H3,(H,26,27,28,29)
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n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against angiotensin II receptor in bovine adrenal cortex


Bioorg Med Chem Lett 5: 2071-2076 (1995)


Article DOI: 10.1016/0960-894X(95)00370-9
BindingDB Entry DOI: 10.7270/Q2SF2W4J
More data for this
Ligand-Target Pair
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