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Compile Data Set for Download or QSAR

Found 20 hits from E. I. du Pont de Nemours and Co., Inc.   
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 receptor


(RAT)
BDBM50015270
PNG
(CHEMBL262958 | N-[4-(2-Butyl-4-chloro-5-methoxycar...)
Show SMILES CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-22(30)34-2)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)
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n/an/a 140n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226737
PNG
(CHEMBL281939)
Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C24H25ClN2O4/c1-3-4-9-21-26-23(25)20(15-31-2)27(21)14-16-10-12-17(13-11-16)22(28)18-7-5-6-8-19(18)24(29)30/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,29,30)
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n/an/a 150n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226733
PNG
(CHEMBL285127)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C23H23ClN2O4/c1-2-3-8-20-25-22(24)19(14-27)26(20)13-15-9-11-16(12-10-15)21(28)17-6-4-5-7-18(17)23(29)30/h4-7,9-12,27H,2-3,8,13-14H2,1H3,(H,29,30)
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n/an/a 160n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226730
PNG
(CHEMBL28227)
Show SMILES CCCCc1nc(Cl)c(CNC(=O)OC)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-27-25(33)34-2)29(21)15-16-10-12-17(13-11-16)22(30)18-7-5-6-8-19(18)24(31)32/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,33)(H,31,32)
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n/an/a 270n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226734
PNG
(CHEMBL25956)
Show SMILES CCCCc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C23H26N2O4/c1-2-3-8-22-24-13-19(15-26)25(22)14-17-9-11-20(12-10-17)29-16-18-6-4-5-7-21(18)23(27)28/h4-7,9-13,26H,2-3,8,14-16H2,1H3,(H,27,28)
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n/an/a 310n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226742
PNG
(CHEMBL286054)
Show SMILES CCCCc1nc(CO)c(Cl)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C23H23ClN2O4/c1-2-3-8-20-25-19(14-27)22(24)26(20)13-15-9-11-16(12-10-15)21(28)17-6-4-5-7-18(17)23(29)30/h4-7,9-12,27H,2-3,8,13-14H2,1H3,(H,29,30)
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n/an/a 340n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226739
PNG
(CHEMBL27589)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C22H23ClN2O4/c1-2-3-8-20-24-21(23)18(14-26)25(20)13-15-9-11-16(12-10-15)29-19-7-5-4-6-17(19)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 400n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226741
PNG
(CHEMBL28441)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(Sc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C22H23ClN2O3S/c1-2-3-8-20-24-21(23)18(14-26)25(20)13-15-9-11-16(12-10-15)29-19-7-5-4-6-17(19)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)
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n/an/a 400n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226729
PNG
(CHEMBL280530)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-7-20-24-21(23)19(14-26)25(20)13-15-8-10-16(11-9-15)17-5-4-6-18(12-17)22(27)28/h4-6,8-12,26H,2-3,7,13-14H2,1H3,(H,27,28)
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n/an/a 490n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226732
PNG
(CHEMBL27216)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C23H25ClN2O4/c1-2-3-8-21-25-22(24)20(14-27)26(21)13-16-9-11-18(12-10-16)30-15-17-6-4-5-7-19(17)23(28)29/h4-7,9-12,27H,2-3,8,13-15H2,1H3,(H,28,29)
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n/an/a 920n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226728
PNG
(CHEMBL26321)
Show SMILES CCCCc1ncc(CO)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O3/c1-2-3-7-21-23-13-20(15-25)24(21)14-16-8-10-17(11-9-16)18-5-4-6-19(12-18)22(26)27/h4-6,8-13,25H,2-3,7,14-15H2,1H3,(H,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226727
PNG
(CHEMBL26839)
Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C24H27ClN2O4/c1-3-4-9-22-26-23(25)21(16-30-2)27(22)14-17-10-12-19(13-11-17)31-15-18-7-5-6-8-20(18)24(28)29/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,28,29)
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n/an/a 1.20E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226743
PNG
(CHEMBL282978)
Show SMILES CCCCc1nc(COC(C)=O)c(Cl)n1Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C25H25ClN2O5/c1-3-4-9-22-27-21(15-33-16(2)29)24(26)28(22)14-17-10-12-18(13-11-17)23(30)19-7-5-6-8-20(19)25(31)32/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,31,32)
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n/an/a 1.40E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226738
PNG
(CHEMBL416929)
Show SMILES CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C25H27ClN2O5/c1-3-4-9-23-27-24(26)22(16-32-17(2)29)28(23)14-18-10-12-20(13-11-18)33-15-19-7-5-6-8-21(19)25(30)31/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,30,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226725
PNG
(CHEMBL285353)
Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(NC(=O)Nc2ccccc2NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C24H27ClF3N5O4S/c1-3-4-9-21-31-22(25)20(15-37-2)33(21)14-16-10-12-17(13-11-16)29-23(34)30-18-7-5-6-8-19(18)32-38(35,36)24(26,27)28/h5-8,10-13,32H,3-4,9,14-15H2,1-2H3,(H2,29,30,34)
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n/an/a 2.40E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226731
PNG
(CHEMBL27059)
Show SMILES CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C24H25ClN2O4/c1-3-4-8-22-26-23(25)21(15-31-16(2)28)27(22)14-17-9-11-18(12-10-17)19-6-5-7-20(13-19)24(29)30/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,29,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226735
PNG
(CHEMBL27280)
Show SMILES CCCCc1nc(Cl)c(COC)n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C23H25ClN2O3/c1-3-4-8-21-25-22(24)20(15-29-2)26(21)14-16-9-11-17(12-10-16)18-6-5-7-19(13-18)23(27)28/h5-7,9-13H,3-4,8,14-15H2,1-2H3,(H,27,28)
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n/an/a 2.90E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226736
PNG
(CHEMBL283445)
Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(\C=C\c2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C24H25ClN2O3/c1-2-3-8-22-26-23(25)21(16-28)27(22)15-18-11-9-17(10-12-18)13-14-19-6-4-5-7-20(19)24(29)30/h4-7,9-14,28H,2-3,8,15-16H2,1H3,(H,29,30)/b14-13+
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n/an/a 5.40E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226726
PNG
(CHEMBL27770)
Show SMILES CCCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C22H24N2O4S/c1-2-11-29-22-23-12-18(14-25)24(22)13-16-7-9-19(10-8-16)28-15-17-5-3-4-6-20(17)21(26)27/h3-10,12,25H,2,11,13-15H2,1H3,(H,26,27)
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n/an/a 5.90E+3n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair
Angiotensin II receptor


(RAT)
BDBM50226740
PNG
(CHEMBL26838)
Show SMILES CCSc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C21H22N2O4S/c1-2-28-21-22-11-17(13-24)23(21)12-15-7-9-18(10-8-15)27-14-16-5-3-4-6-19(16)20(25)26/h3-11,24H,2,12-14H2,1H3,(H,25,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



E. I. du Pont de Nemours and Co., Inc.

Curated by ChEMBL


Assay Description
Ability to displace [3H]AII (2 nM) from its specific binding sites in rat adrenal cortical microsome preparation


J Med Chem 33: 1330-6 (1990)


Article DOI: 10.1021/jm00167a008
More data for this
Ligand-Target Pair