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Compile Data Set for Download or QSAR

Found 498 hits with Last Name = 'essenburg' and Initial = 'ad'   
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
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027142
PNG
(1-{5-[(Furan-2-carbonyl)-amino]-4-oxo-6-phenyl-hex...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
Show InChI InChI=1S/C22H24N2O6/c25-18(10-11-20(26)24-12-4-8-17(24)22(28)29)16(14-15-6-2-1-3-7-15)23-21(27)19-9-5-13-30-19/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2,(H,23,27)(H,28,29)/t16?,17-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027132
PNG
(1-[5-Benzoylamino-6-(3,4-dimethoxy-phenyl)-4-oxo-h...)
Show SMILES COc1ccc(CC(NC(=O)c2ccccc2)C(=O)CCC(=O)N2CCC[C@H]2C(O)=O)cc1OC
Show InChI InChI=1S/C26H30N2O7/c1-34-22-12-10-17(16-23(22)35-2)15-19(27-25(31)18-7-4-3-5-8-18)21(29)11-13-24(30)28-14-6-9-20(28)26(32)33/h3-5,7-8,10,12,16,19-20H,6,9,11,13-15H2,1-2H3,(H,27,31)(H,32,33)/t19?,20-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50367258
PNG
(CI-928 | QUINAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021530
PNG
((S,S,S) 2-[2-(1-Carboxy-3-phenyl-propylamino)-prop...)
Show SMILES COc1cc2CC(N(Cc2cc1OC)C(=O)C(C)NC(CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H30N2O7/c1-15(26-19(24(29)30)10-9-16-7-5-4-6-8-16)23(28)27-14-18-13-22(34-3)21(33-2)12-17(18)11-20(27)25(31)32/h4-8,12-13,15,19-20,26H,9-11,14H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021532
PNG
((S,S,S) 2-[2-(1-Carboxy-3-phenyl-propylamino)-prop...)
Show SMILES CC(NC(CCc1ccccc1)C(O)=O)C(=O)N1Cc2ccccc2C1C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-14(23-18(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-13-16-9-5-6-10-17(16)19(24)22(28)29/h2-10,14,18-19,23H,11-13H2,1H3,(H,26,27)(H,28,29)
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


J Med Chem 25: 996-9 (1982)


Article DOI: 10.1021/jm00350a023
BindingDB Entry DOI: 10.7270/Q2154G1D
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027344
PNG
((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289051
PNG
(CHEMBL160103 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCC[C@@H](C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C29H49NO3/c1-7-8-9-10-11-12-13-14-15-16-18-24(6)33-28(32)21-27(31)30-29-25(22(2)3)19-17-20-26(29)23(4)5/h17,19-20,22-24H,7-16,18,21H2,1-6H3,(H,30,31)/t24-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Bioorg Med Chem Lett 6: 713-718 (1996)


Article DOI: 10.1016/0960-894X(96)00098-4
BindingDB Entry DOI: 10.7270/Q2DV1JV5
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289025
PNG
(CHEMBL164479 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCC[C@H](C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C29H49NO3/c1-7-8-9-10-11-12-13-14-15-16-18-24(6)33-28(32)21-27(31)30-29-25(22(2)3)19-17-20-26(29)23(4)5/h17,19-20,22-24H,7-16,18,21H2,1-6H3,(H,30,31)/t24-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Bioorg Med Chem Lett 6: 713-718 (1996)


Article DOI: 10.1016/0960-894X(96)00098-4
BindingDB Entry DOI: 10.7270/Q2DV1JV5
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027476
PNG
(1-[2-(3-Benzoylamino-2-oxo-4-phenyl-butoxy)-acetyl...)
Show SMILES OC(=O)[C@H]1CCCN1C(=O)COCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c27-21(15-32-16-22(28)26-13-7-12-20(26)24(30)31)19(14-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


J Med Chem 25: 996-9 (1982)


Article DOI: 10.1021/jm00350a023
BindingDB Entry DOI: 10.7270/Q2154G1D
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027147
PNG
(1-[5-Benzoylamino-6-(4-hydroxy-phenyl)-4-oxo-hexan...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c27-18-10-8-16(9-11-18)15-19(25-23(30)17-5-2-1-3-6-17)21(28)12-13-22(29)26-14-4-7-20(26)24(31)32/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,25,30)(H,31,32)/t19?,20-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027144
PNG
(1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C23H25N3O5/c27-20(10-11-21(28)26-13-5-9-19(26)23(30)31)18(14-16-6-4-12-24-15-16)25-22(29)17-7-2-1-3-8-17/h1-4,6-8,12,15,18-19H,5,9-11,13-14H2,(H,25,29)(H,30,31)/t18?,19-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021525
PNG
((S,S,S) 2-[2-(1-Carboxy-3-phenyl-propylamino)-prop...)
Show SMILES CC(NC(CCc1ccccc1)C(O)=O)C(=O)N1CCc2ccccc2C1C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-13-17-9-5-6-10-18(17)20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)
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n/an/a 5.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50045906
PNG
(3-Oxo-hexadecanoic acid (2,6-diisopropyl-phenyl)-a...)
Show SMILES CCCCCCCCCCCCCC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H47NO2/c1-6-7-8-9-10-11-12-13-14-15-16-18-24(30)21-27(31)29-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-20,22-23H,6-16,18,21H2,1-5H3,(H,29,31)
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n/an/a 6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 36: 2943-9 (1993)


Article DOI: 10.1021/jm00072a014
BindingDB Entry DOI: 10.7270/Q27943RH
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289024
PNG
(CHEMBL422709 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCC(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45NO3/c1-7-8-9-10-11-12-13-14-16-22(6)31-26(30)19-25(29)28-27-23(20(2)3)17-15-18-24(27)21(4)5/h15,17-18,20-22H,7-14,16,19H2,1-6H3,(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Bioorg Med Chem Lett 6: 713-718 (1996)


Article DOI: 10.1016/0960-894X(96)00098-4
BindingDB Entry DOI: 10.7270/Q2DV1JV5
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005955
PNG
(CHEMBL40608 | Octadec-9-enoic acid (2,6-diisopropy...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H51NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29(32)31-30-27(25(2)3)22-21-23-28(30)26(4)5/h13-14,21-23,25-26H,6-12,15-20,24H2,1-5H3,(H,31,32)/b14-13+
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n/an/a 7n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 35: 1609-17 (1992)


Article DOI: 10.1021/jm00087a016
BindingDB Entry DOI: 10.7270/Q2G44QXN
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50368166
PNG
(Accupril | QUINAPRIL)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum


J Med Chem 28: 1291-5 (1985)


Article DOI: 10.1021/jm00147a030
BindingDB Entry DOI: 10.7270/Q2GF0V34
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50368166
PNG
(Accupril | QUINAPRIL)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054305
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-undecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C25H44N6O/c1-6-7-8-9-10-11-12-13-14-18-31-29-24(28-30-31)27-25(32)26-23-21(19(2)3)16-15-17-22(23)20(4)5/h15-17,19-20,30H,6-14,18H2,1-5H3,(H3,26,27,28,29,32)
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n/an/a 9n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281487
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-nonyl-phenyl)-urea...)
Show SMILES CCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C28H42N2O/c1-6-7-8-9-10-11-12-14-23-17-19-24(20-18-23)29-28(31)30-27-25(21(2)3)15-13-16-26(27)22(4)5/h13,15-22H,6-12,14H2,1-5H3,(H2,29,30,31)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Bioorg Med Chem Lett 3: 259-262 (1993)


Article DOI: 10.1016/S0960-894X(01)80888-X
BindingDB Entry DOI: 10.7270/Q2N58M9R
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281484
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-undecyl-phenyl)-ur...)
Show SMILES CCCCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C30H46N2O/c1-6-7-8-9-10-11-12-13-14-16-25-19-21-26(22-20-25)31-30(33)32-29-27(23(2)3)17-15-18-28(29)24(4)5/h15,17-24H,6-14,16H2,1-5H3,(H2,31,32,33)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Bioorg Med Chem Lett 3: 259-262 (1993)


Article DOI: 10.1016/S0960-894X(01)80888-X
BindingDB Entry DOI: 10.7270/Q2N58M9R
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054300
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-tridecyl-2,3-dihyd...)
Show SMILES CCCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C27H48N6O/c1-6-7-8-9-10-11-12-13-14-15-16-20-33-31-26(30-32-33)29-27(34)28-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22,32H,6-16,20H2,1-5H3,(H3,28,29,30,31,34)
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n/an/a 9n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027146
PNG
(1-[5-Benzoylamino-6-(4-benzyloxy-phenyl)-4-oxo-hex...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C31H32N2O6/c34-28(17-18-29(35)33-19-7-12-27(33)31(37)38)26(32-30(36)24-10-5-2-6-11-24)20-22-13-15-25(16-14-22)39-21-23-8-3-1-4-9-23/h1-6,8-11,13-16,26-27H,7,12,17-21H2,(H,32,36)(H,37,38)/t26?,27-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50045911
PNG
(3-Oxo-pentadecanoic acid (2,6-diisopropyl-phenyl)-...)
Show SMILES CCCCCCCCCCCCC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45NO2/c1-6-7-8-9-10-11-12-13-14-15-17-23(29)20-26(30)28-27-24(21(2)3)18-16-19-25(27)22(4)5/h16,18-19,21-22H,6-15,17,20H2,1-5H3,(H,28,30)
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 36: 2943-9 (1993)


Article DOI: 10.1021/jm00072a014
BindingDB Entry DOI: 10.7270/Q27943RH
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041733
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-morpholin-4-ylm...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C30H43N3O2/c1-22(2)26-11-8-12-27(23(3)4)28(26)32-29(34)31-21-30(13-5-6-14-30)25-10-7-9-24(19-25)20-33-15-17-35-18-16-33/h7-12,19,22-23H,5-6,13-18,20-21H2,1-4H3,(H2,31,32,34)
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281483
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-octyl-phenyl)-urea...)
Show SMILES CCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C27H40N2O/c1-6-7-8-9-10-11-13-22-16-18-23(19-17-22)28-27(30)29-26-24(20(2)3)14-12-15-25(26)21(4)5/h12,14-21H,6-11,13H2,1-5H3,(H2,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Bioorg Med Chem Lett 3: 259-262 (1993)


Article DOI: 10.1016/S0960-894X(01)80888-X
BindingDB Entry DOI: 10.7270/Q2N58M9R
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50045915
PNG
(CHEMBL316724 | N-(2,6-Diisopropyl-phenyl)-3-oxo-3-...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C26H33NO2/c1-18(2)21-13-10-14-22(19(3)4)25(21)27-24(29)17-23(28)26(15-8-9-16-26)20-11-6-5-7-12-20/h5-7,10-14,18-19H,8-9,15-17H2,1-4H3,(H,27,29)
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 36: 2943-9 (1993)


Article DOI: 10.1021/jm00072a014
BindingDB Entry DOI: 10.7270/Q27943RH
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289048
PNG
(CHEMBL164205 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCCOC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45NO3/c1-6-7-8-9-10-11-12-13-14-15-19-31-26(30)20-25(29)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Bioorg Med Chem Lett 6: 713-718 (1996)


Article DOI: 10.1016/0960-894X(96)00098-4
BindingDB Entry DOI: 10.7270/Q2DV1JV5
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289042
PNG
(CHEMBL162996 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCCCCC(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C31H53NO3/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-26(6)35-30(34)23-29(33)32-31-27(24(2)3)21-19-22-28(31)25(4)5/h19,21-22,24-26H,7-18,20,23H2,1-6H3,(H,32,33)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Bioorg Med Chem Lett 6: 713-718 (1996)


Article DOI: 10.1016/0960-894X(96)00098-4
BindingDB Entry DOI: 10.7270/Q2DV1JV5
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281490
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(4-tridecyl-phenyl)-u...)
Show SMILES CCCCCCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C32H50N2O/c1-6-7-8-9-10-11-12-13-14-15-16-18-27-21-23-28(24-22-27)33-32(35)34-31-29(25(2)3)19-17-20-30(31)26(4)5/h17,19-26H,6-16,18H2,1-5H3,(H2,33,34,35)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Bioorg Med Chem Lett 3: 259-262 (1993)


Article DOI: 10.1016/S0960-894X(01)80888-X
BindingDB Entry DOI: 10.7270/Q2N58M9R
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


J Med Chem 24: 104-9 (1981)


Article DOI: 10.1021/jm00133a021
BindingDB Entry DOI: 10.7270/Q2ZW1MGC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027478
PNG
(1-[2-(3-Benzoylamino-2-oxo-4-phenyl-butylsulfanyl)...)
Show SMILES OC(=O)[C@H]1CCCN1C(=O)CSCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C24H26N2O5S/c27-21(15-32-16-22(28)26-13-7-12-20(26)24(30)31)19(14-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Angiotensin I converting enzyme


J Med Chem 25: 996-9 (1982)


Article DOI: 10.1021/jm00350a023
BindingDB Entry DOI: 10.7270/Q2154G1D
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054279
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-dodecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCCN1NN=C(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C27H48N6O/c1-6-7-8-9-10-11-12-13-14-15-19-33-31-25(30-32-33)20-28-27(34)29-26-23(21(2)3)17-16-18-24(26)22(4)5/h16-18,21-22,32H,6-15,19-20H2,1-5H3,(H,30,31)(H2,28,29,34)
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289050
PNG
(CHEMBL159666 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCC(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C25H41NO3/c1-7-8-9-10-11-12-14-20(6)29-24(28)17-23(27)26-25-21(18(2)3)15-13-16-22(25)19(4)5/h13,15-16,18-20H,7-12,14,17H2,1-6H3,(H,26,27)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Bioorg Med Chem Lett 6: 713-718 (1996)


Article DOI: 10.1016/0960-894X(96)00098-4
BindingDB Entry DOI: 10.7270/Q2DV1JV5
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054288
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-tetradecyl-2,3-dih...)
Show SMILES CCCCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C28H50N6O/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-34-32-27(31-33-34)30-28(35)29-26-24(22(2)3)19-18-20-25(26)23(4)5/h18-20,22-23,33H,6-17,21H2,1-5H3,(H3,29,30,31,32,35)
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50289039
PNG
(CHEMBL163293 | N-(2,6-Diisopropyl-phenyl)-malonami...)
Show SMILES CCCCCCCCCCCCC(C)(C)OC(=O)CC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H51NO3/c1-8-9-10-11-12-13-14-15-16-17-21-30(6,7)34-28(33)22-27(32)31-29-25(23(2)3)19-18-20-26(29)24(4)5/h18-20,23-24H,8-17,21-22H2,1-7H3,(H,31,32)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol fed rabbits (IAI)...


Bioorg Med Chem Lett 6: 713-718 (1996)


Article DOI: 10.1016/0960-894X(96)00098-4
BindingDB Entry DOI: 10.7270/Q2DV1JV5
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50042104
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(1-thiophen-2-yl-cycl...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccs1
Show InChI InChI=1S/C23H32N2OS/c1-16(2)18-9-7-10-19(17(3)4)21(18)25-22(26)24-15-23(12-5-6-13-23)20-11-8-14-27-20/h7-11,14,16-17H,5-6,12-13,15H2,1-4H3,(H2,24,25,26)
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase using intestinal microsomes isolated from cholesterol fed rabbits


J Med Chem 36: 3300-7 (1993)


Article DOI: 10.1021/jm00074a011
BindingDB Entry DOI: 10.7270/Q2M044GN
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of guinea pig angiotensin I converting enzyme


J Med Chem 29: 1953-61 (1986)


Article DOI: 10.1021/jm00160a026
BindingDB Entry DOI: 10.7270/Q2PZ59DG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50281496
PNG
(1-(4-Decyl-phenyl)-3-(2,6-diisopropyl-phenyl)-urea...)
Show SMILES CCCCCCCCCCc1ccc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)cc1
Show InChI InChI=1S/C29H44N2O/c1-6-7-8-9-10-11-12-13-15-24-18-20-25(21-19-24)30-29(32)31-28-26(22(2)3)16-14-17-27(28)23(4)5/h14,16-23H,6-13,15H2,1-5H3,(H2,30,31,32)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of intestinal Acyl coenzyme A:cholesterol acyltransferase in cholesterol-fed rabbits.


Bioorg Med Chem Lett 3: 259-262 (1993)


Article DOI: 10.1016/S0960-894X(01)80888-X
BindingDB Entry DOI: 10.7270/Q2N58M9R
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054281
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(3-tridecyl-isoxazol-...)
Show SMILES CCCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)on1
Show InChI InChI=1S/C29H47N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-18-24-21-27(34-32-24)30-29(33)31-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-23H,6-16,18H2,1-5H3,(H2,30,31,33)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041764
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-methoxy-phenyl)...)
Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCCC1
Show InChI InChI=1S/C26H36N2O2/c1-18(2)22-12-9-13-23(19(3)4)24(22)28-25(29)27-17-26(14-6-7-15-26)20-10-8-11-21(16-20)30-5/h8-13,16,18-19H,6-7,14-15,17H2,1-5H3,(H2,27,28,29)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50021049
PNG
((S,S)-2-[2-(1-Ethoxycarbonyl-3-phenyl-propoxy)-pro...)
Show SMILES CCOC(=O)C(CCc1ccccc1)OC(C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C25H29NO6/c1-3-31-25(30)22(14-13-18-9-5-4-6-10-18)32-17(2)23(27)26-16-20-12-8-7-11-19(20)15-21(26)24(28)29/h4-12,17,21-22H,3,13-16H2,1-2H3,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum


J Med Chem 28: 1291-5 (1985)


Article DOI: 10.1021/jm00147a030
BindingDB Entry DOI: 10.7270/Q2GF0V34
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054302
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(2-dodecyl-2,3-dihydr...)
Show SMILES CCCCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C26H46N6O/c1-6-7-8-9-10-11-12-13-14-15-19-32-30-25(29-31-32)28-26(33)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21,31H,6-15,19H2,1-5H3,(H3,27,28,29,30,33)
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054284
PNG
(1-(2-Decyl-2,3-dihydro-1H-tetrazol-5-yl)-3-(2,6-di...)
Show SMILES CCCCCCCCCCN1NN=C(NC(=O)Nc2c(cccc2C(C)C)C(C)C)N1
Show InChI InChI=1S/C24H42N6O/c1-6-7-8-9-10-11-12-13-17-30-28-23(27-29-30)26-24(31)25-22-20(18(2)3)15-14-16-21(22)19(4)5/h14-16,18-19,29H,6-13,17H2,1-5H3,(H3,25,26,27,28,31)
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50054278
PNG
(1-(2,6-Diisopropyl-phenyl)-3-(5-tridecyl-isoxazol-...)
Show SMILES CCCCCCCCCCCCCc1cc(NC(=O)Nc2c(cccc2C(C)C)C(C)C)no1
Show InChI InChI=1S/C29H47N3O2/c1-6-7-8-9-10-11-12-13-14-15-16-18-24-21-27(32-34-24)30-29(33)31-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-23H,6-16,18H2,1-5H3,(H2,30,31,32,33)
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Acyl coenzyme A:cholesterol acyltransferase 1 inhibition in vitro measured in rabbit intestinal microsomes


J Med Chem 39: 4382-95 (1996)


Article DOI: 10.1021/jm960404v
BindingDB Entry DOI: 10.7270/Q2571B3F
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005994
PNG
(CHEMBL42998 | Octadec-9-enoic acid (2-ethoxy-6-met...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(C)cccc1OCC
Show InChI InChI=1S/C27H45NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26(29)28-27-24(3)21-20-22-25(27)30-5-2/h12-13,20-22H,4-11,14-19,23H2,1-3H3,(H,28,29)/b13-12+
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestinal microsomes isolated from cholesterol-fed rabbits


J Med Chem 35: 1609-17 (1992)


Article DOI: 10.1021/jm00087a016
BindingDB Entry DOI: 10.7270/Q2G44QXN
More data for this
Ligand-Target Pair
ACEI-ACE2


(Homo sapiens (Human))
BDBM50027154
PNG
(1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...)
Show SMILES O=C(CCC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(Cc1cccnc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C30H31N3O5/c34-27(25(19-23-11-7-17-31-20-23)32-29(36)24-12-5-2-6-13-24)15-16-28(35)33-18-8-14-26(33)30(37)38-21-22-9-3-1-4-10-22/h1-7,9-13,17,20,25-26H,8,14-16,18-19,21H2,(H,32,36)/t25?,26-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50041738
PNG
(1-(2,6-Diisopropyl-phenyl)-3-[1-(3-hydroxymethyl-p...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(CCCC1)c1cccc(CO)c1
Show InChI InChI=1S/C26H36N2O2/c1-18(2)22-11-8-12-23(19(3)4)24(22)28-25(30)27-17-26(13-5-6-14-26)21-10-7-9-20(15-21)16-29/h7-12,15,18-19,29H,5-6,13-14,16-17H2,1-4H3,(H2,27,28,30)
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition against Acyl coenzyme A:cholesterol acyltransferase of intestinal microsomes in cholesterol-fed rabbits


J Med Chem 37: 1652-9 (1994)


Article DOI: 10.1021/jm00037a016
BindingDB Entry DOI: 10.7270/Q2WQ04DZ
More data for this
Ligand-Target Pair
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