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Compile Data Set for Download or QSAR

Found 12 hits of ec50 data for polymerid = 49000266,50002396   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282221
PNG
(2-Ethyl-4-hydroxy-5-phenyl-7-[2'-(1H-tetrazol-5-yl...)
Show SMILES CCc1cc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2s1
Show InChI InChI=1S/C29H23N5O2S/c1-2-21-16-24-26(35)25(20-8-4-3-5-9-20)28(36)34(29(24)37-21)17-18-12-14-19(15-13-18)22-10-6-7-11-23(22)27-30-32-33-31-27/h3-16,35H,2,17H2,1H3,(H,30,31,32,33)
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n/an/an/an/a 90n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=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/an/an/a 350n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282222
PNG
(7-Ethoxy-4-hydroxy-3-phenyl-1-[2'-(1H-tetrazol-5-y...)
Show SMILES CCOc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1
Show InChI InChI=1S/C31H25N5O3/c1-2-39-23-16-17-26-27(18-23)36(31(38)28(29(26)37)22-8-4-3-5-9-22)19-20-12-14-21(15-13-20)24-10-6-7-11-25(24)30-32-34-35-33-30/h3-18,37H,2,19H2,1H3,(H,32,33,34,35)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282218
PNG
(4-Hydroxy-7-methylsulfanyl-3-phenyl-1-[2'-(1H-tetr...)
Show SMILES CSc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1
Show InChI InChI=1S/C30H23N5O2S/c1-38-22-15-16-25-26(17-22)35(30(37)27(28(25)36)21-7-3-2-4-8-21)18-19-11-13-20(14-12-19)23-9-5-6-10-24(23)29-31-33-34-32-29/h2-17,36H,18H2,1H3,(H,31,32,33,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282219
PNG
(4-Hydroxy-7-methyl-3-phenyl-1-[2'-(1H-tetrazol-5-y...)
Show SMILES Cc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2n1
Show InChI InChI=1S/C29H22N6O2/c1-18-11-16-24-26(36)25(21-7-3-2-4-8-21)29(37)35(28(24)30-18)17-19-12-14-20(15-13-19)22-9-5-6-10-23(22)27-31-33-34-32-27/h2-16,36H,17H2,1H3,(H,31,32,33,34)
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n/an/an/an/a 1.25E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282215
PNG
(4-Hydroxy-3-phenyl-1-[2'-(1H-tetrazol-5-yl)-biphen...)
Show SMILES Oc1c2CCCc2n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=O)c1-c1ccccc1
Show InChI InChI=1S/C28H23N5O2/c34-26-23-11-6-12-24(23)33(28(35)25(26)20-7-2-1-3-8-20)17-18-13-15-19(16-14-18)21-9-4-5-10-22(21)27-29-31-32-30-27/h1-5,7-10,13-16,34H,6,11-12,17H2,(H,29,30,31,32)
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n/an/an/an/a 1.25E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282217
PNG
(4-Hydroxy-3-phenyl-1-[2'-(1H-tetrazol-5-yl)-biphen...)
Show SMILES Oc1c(-c2ccccc2)c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccccc12
Show InChI InChI=1S/C29H21N5O2/c35-27-24-12-6-7-13-25(24)34(29(36)26(27)21-8-2-1-3-9-21)18-19-14-16-20(17-15-19)22-10-4-5-11-23(22)28-30-32-33-31-28/h1-17,35H,18H2,(H,30,31,32,33)
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282216
PNG
(4'-(7-Ethoxy-4-hydroxy-2-oxo-3-phenyl-2H-quinolin-...)
Show SMILES CCOc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C31H25NO5/c1-2-37-23-16-17-26-27(18-23)32(30(34)28(29(26)33)22-8-4-3-5-9-22)19-20-12-14-21(15-13-20)24-10-6-7-11-25(24)31(35)36/h3-18,33H,2,19H2,1H3,(H,35,36)
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n/an/an/an/a 1.80E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282223
PNG
(4-Hydroxy-7-methoxy-3-phenyl-1-[2'-(1H-tetrazol-5-...)
Show SMILES COc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1
Show InChI InChI=1S/C30H23N5O3/c1-38-22-15-16-25-26(17-22)35(30(37)27(28(25)36)21-7-3-2-4-8-21)18-19-11-13-20(14-12-19)23-9-5-6-10-24(23)29-31-33-34-32-29/h2-17,36H,18H2,1H3,(H,31,32,33,34)
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n/an/an/an/a 2.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50003399
PNG
(4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/an/an/a 2.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282214
PNG
(7-Hydroxy-6-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphen...)
Show SMILES Oc1c(-c2ccccc2)c(=O)n(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2ccsc12
Show InChI InChI=1S/C27H19N5O2S/c33-24-23(19-6-2-1-3-7-19)27(34)32(22-14-15-35-25(22)24)16-17-10-12-18(13-11-17)20-8-4-5-9-21(20)26-28-30-31-29-26/h1-15,33H,16H2,(H,28,29,30,31)
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n/an/an/an/a 6.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair
Angiotensin II type 1a (AT-1a) receptor


(Bos taurus)
BDBM50282220
PNG
(4'-(4-Hydroxy-7-methoxy-2-oxo-3-phenyl-2H-quinolin...)
Show SMILES COc1ccc2c(O)c(-c3ccccc3)c(=O)n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C30H23NO5/c1-36-22-15-16-25-26(17-22)31(29(33)27(28(25)32)21-7-3-2-4-8-21)18-19-11-13-20(14-12-19)23-9-5-6-10-24(23)30(34)35/h2-17,32H,18H2,1H3,(H,34,35)
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n/an/an/an/a 9.50E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-AII binding to angiotensin II receptor of bovine adrenal cortex


Bioorg Med Chem Lett 4: 127-132 (1994)

More data for this
Ligand-Target Pair