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PubMed code 1578488

Compile data set for download or QSAR
Found 74 hits of Enzyme Inhibition Constant Data   
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
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005961
PNG
(CHEMBL417517 | Octadec-9-enoic acid (2,6-diethyl-p...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(CC)cccc1CC
Show InChI InChI=1S/C28H47NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27(30)29-28-25(5-2)22-21-23-26(28)6-3/h13-14,21-23H,4-12,15-20,24H2,1-3H3,(H,29,30)/b14-13+
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n/an/a 17n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005997
PNG
(CHEMBL289033 | Octadec-9-enoic acid (2-methoxy-6-m...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(C)cccc1OC
Show InChI InChI=1S/C26H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(28)27-26-23(2)20-19-21-24(26)29-3/h11-12,19-21H,4-10,13-18,22H2,1-3H3,(H,27,28)/b12-11+
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n/an/a 20n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005932
PNG
(CHEMBL40527 | Octadec-9-enoic acid (2-isopropyl-6-...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(C)cccc1C(C)C
Show InChI InChI=1S/C28H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27(30)29-28-25(4)21-20-22-26(28)24(2)3/h12-13,20-22,24H,5-11,14-19,23H2,1-4H3,(H,29,30)/b13-12+
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n/an/a 23n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005983
PNG
(CHEMBL44020 | Octadec-9-enoic acid (2,4,6-trichlor...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C24H36Cl3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(29)28-24-21(26)18-20(25)19-22(24)27/h9-10,18-19H,2-8,11-17H2,1H3,(H,28,29)/b10-9+
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n/an/a 30n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005969
PNG
(2-Methyl-hexadecanoic acid (2,4,6-trimethoxy-pheny...)
Show SMILES CCCCCCCCCCCCCCC(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C26H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)26(28)27-25-23(30-4)19-22(29-3)20-24(25)31-5/h19-21H,6-18H2,1-5H3,(H,27,28)
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n/an/a 31n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005971
PNG
(1-Decyl-cyclopentanecarboxylic acid (2,4,6-trimeth...)
Show SMILES CCCCCCCCCCC1(CCCC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-15-25(16-13-14-17-25)24(27)26-23-21(29-3)18-20(28-2)19-22(23)30-4/h18-19H,5-17H2,1-4H3,(H,26,27)
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n/an/a 32n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005970
PNG
(2-Methyl-octadec-9-enoic acid (2,4,6-trimethoxy-ph...)
Show SMILES CCCCCCCC\C=C\CCCCCCC(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C28H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)28(30)29-27-25(32-4)21-24(31-3)22-26(27)33-5/h13-14,21-23H,6-12,15-20H2,1-5H3,(H,29,30)/b14-13+
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n/an/a 36n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005954
PNG
(1-Decyl-cyclobutanecarboxylic acid (2,4,6-trimetho...)
Show SMILES CCCCCCCCCCC1(CCC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C24H39NO4/c1-5-6-7-8-9-10-11-12-14-24(15-13-16-24)23(26)25-22-20(28-3)17-19(27-2)18-21(22)29-4/h17-18H,5-16H2,1-4H3,(H,25,26)
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n/an/a 39n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005979
PNG
(CHEMBL46510 | Octadec-9-enoic acid (2,6-dimethyl-p...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C26H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(28)27-26-23(2)20-19-21-24(26)3/h11-12,19-21H,4-10,13-18,22H2,1-3H3,(H,27,28)/b12-11-
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n/an/a 43n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005953
PNG
(2,2-Dimethyl-octadec-9-enoic acid (2,4,6-trimethox...)
Show SMILES CCCCCCCC\C=C\CCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C29H49NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(2,3)28(31)30-27-25(33-5)22-24(32-4)23-26(27)34-6/h14-15,22-23H,7-13,16-21H2,1-6H3,(H,30,31)/b15-14+
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n/an/a 44n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005967
PNG
(2,2-Dimethyl-hexadecanoic acid (2,4,6-trimethoxy-p...)
Show SMILES CCCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C27H47NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-27(2,3)26(29)28-25-23(31-5)20-22(30-4)21-24(25)32-6/h20-21H,7-19H2,1-6H3,(H,28,29)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005949
PNG
(1-Tetradecyl-cyclopropanecarboxylic acid (2,4,6-tr...)
Show SMILES CCCCCCCCCCCCCCC1(CC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27(18-19-27)26(29)28-25-23(31-3)20-22(30-2)21-24(25)32-4/h20-21H,5-19H2,1-4H3,(H,28,29)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005965
PNG
(CHEMBL40519 | Octadec-9-enoic acid (2,4,6-trimetho...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-27-24(31-3)21-23(30-2)22-25(27)32-4/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,28,29)/b13-12+
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n/an/a 51n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005938
PNG
(2-Ethyl-tetradecanoic acid (2,4,6-trimethoxy-pheny...)
Show SMILES CCCCCCCCCCCCC(CC)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H43NO4/c1-6-8-9-10-11-12-13-14-15-16-17-20(7-2)25(27)26-24-22(29-4)18-21(28-3)19-23(24)30-5/h18-20H,6-17H2,1-5H3,(H,26,27)
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n/an/a 52n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005974
PNG
(CHEMBL41330 | Octadecanoic acid (2,4,6-trimethoxy-...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C27H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-27-24(31-3)21-23(30-2)22-25(27)32-4/h21-22H,5-20H2,1-4H3,(H,28,29)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005941
PNG
(CHEMBL40809 | Hexadecanoic acid (2,4,6-trimethoxy-...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)26-25-22(29-3)19-21(28-2)20-23(25)30-4/h19-20H,5-18H2,1-4H3,(H,26,27)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005925
PNG
(1-Dodecyl-cyclopropanecarboxylic acid (2,4,6-trime...)
Show SMILES CCCCCCCCCCCCC1(CC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-25(16-17-25)24(27)26-23-21(29-3)18-20(28-2)19-22(23)30-4/h18-19H,5-17H2,1-4H3,(H,26,27)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005959
PNG
(2,2-Dimethyl-undecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C22H37NO4/c1-7-8-9-10-11-12-13-14-22(2,3)21(24)23-20-18(26-5)15-17(25-4)16-19(20)27-6/h15-16H,7-14H2,1-6H3,(H,23,24)
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n/an/a 59n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005981
PNG
(2,2-Dimethyl-decanoic acid (2,4,6-trimethoxy-pheny...)
Show SMILES CCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C21H35NO4/c1-7-8-9-10-11-12-13-21(2,3)20(23)22-19-17(25-5)14-16(24-4)15-18(19)26-6/h14-15H,7-13H2,1-6H3,(H,22,23)
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n/an/a 59n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005960
PNG
(2,4-Dimethyl-5-octadec-9-enoylamino-benzoic acid m...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cc(C(=O)OC)c(C)cc1C
Show InChI InChI=1S/C28H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)29-26-22-25(28(31)32-4)23(2)21-24(26)3/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,29,30)/b13-12+
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n/an/a 60n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005993
PNG
(2,2-Dimethyl-tetradecanoic acid (2,4,6-trimethoxy-...)
Show SMILES CCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H43NO4/c1-7-8-9-10-11-12-13-14-15-16-17-25(2,3)24(27)26-23-21(29-5)18-20(28-4)19-22(23)30-6/h18-19H,7-17H2,1-6H3,(H,26,27)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005957
PNG
(CHEMBL44460 | Pentadecanoic acid (2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C24H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)25-24-21(28-3)18-20(27-2)19-22(24)29-4/h18-19H,5-17H2,1-4H3,(H,25,26)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005927
PNG
(1-Decyl-cyclohexanecarboxylic acid (2,4,6-trimetho...)
Show SMILES CCCCCCCCCCC1(CCCCC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C26H43NO4/c1-5-6-7-8-9-10-11-13-16-26(17-14-12-15-18-26)25(28)27-24-22(30-3)19-21(29-2)20-23(24)31-4/h19-20H,5-18H2,1-4H3,(H,27,28)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005985
PNG
(2-Ethyl-dodecanoic acid (2,4,6-trimethoxy-phenyl)-...)
Show SMILES CCCCCCCCCCC(CC)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-6-8-9-10-11-12-13-14-15-18(7-2)23(25)24-22-20(27-4)16-19(26-3)17-21(22)28-5/h16-18H,6-15H2,1-5H3,(H,24,25)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005980
PNG
(2,2-Dimethyl-octadecanoic acid (2,4,6-trimethoxy-p...)
Show SMILES CCCCCCCCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C29H51NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(2,3)28(31)30-27-25(33-5)22-24(32-4)23-26(27)34-6/h22-23H,7-21H2,1-6H3,(H,30,31)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005931
PNG
(2-Methyl-dodecanoic acid (2,4,6-trimethoxy-phenyl)...)
Show SMILES CCCCCCCCCCC(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C22H37NO4/c1-6-7-8-9-10-11-12-13-14-17(2)22(24)23-21-19(26-4)15-18(25-3)16-20(21)27-5/h15-17H,6-14H2,1-5H3,(H,23,24)
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005996
PNG
(1-Decyl-cycloheptanecarboxylic acid (2,4,6-trimeth...)
Show SMILES CCCCCCCCCCC1(CCCCCC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-14-17-27(18-15-12-13-16-19-27)26(29)28-25-23(31-3)20-22(30-2)21-24(25)32-4/h20-21H,5-19H2,1-4H3,(H,28,29)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005934
PNG
(2,2-Diethyl-dodecanoic acid (2,4,6-trimethoxy-phen...)
Show SMILES CCCCCCCCCCC(CC)(CC)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H43NO4/c1-7-10-11-12-13-14-15-16-17-25(8-2,9-3)24(27)26-23-21(29-5)18-20(28-4)19-22(23)30-6/h18-19H,7-17H2,1-6H3,(H,26,27)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005986
PNG
(3-(2,2-Dimethyl-dodecanoylamino)-4-methoxy-benzoic...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1cc(ccc1OC)C(=O)OC
Show InChI InChI=1S/C23H37NO4/c1-6-7-8-9-10-11-12-13-16-23(2,3)22(26)24-19-17-18(21(25)28-5)14-15-20(19)27-4/h14-15,17H,6-13,16H2,1-5H3,(H,24,26)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005972
PNG
(2-Methyl-tetradecanoic acid (2,4,6-trimethoxy-phen...)
Show SMILES CCCCCCCCCCCCC(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C24H41NO4/c1-6-7-8-9-10-11-12-13-14-15-16-19(2)24(26)25-23-21(28-4)17-20(27-3)18-22(23)29-5/h17-19H,6-16H2,1-5H3,(H,25,26)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005987
PNG
(2,2-Dimethyl-dodecanoic acid (2-heptyloxy-4,6-dime...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OCCCCCCC
Show InChI InChI=1S/C29H51NO4/c1-7-9-11-13-14-15-16-18-20-29(3,4)28(31)30-27-25(33-6)22-24(32-5)23-26(27)34-21-19-17-12-10-8-2/h22-23H,7-21H2,1-6H3,(H,30,31)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005964
PNG
(CHEMBL42143 | Octadec-9-enoic acid (2-hydroxy-4,6-...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(O)cc(OC)cc1OC
Show InChI InChI=1S/C26H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-26-23(28)20-22(30-2)21-24(26)31-3/h11-12,20-21,28H,4-10,13-19H2,1-3H3,(H,27,29)/b12-11+
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005939
PNG
(2,2-Dimethyl-dodecanoic acid (2-ethoxy-6-methyl-ph...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1OCC
Show InChI InChI=1S/C23H39NO2/c1-6-8-9-10-11-12-13-14-18-23(4,5)22(25)24-21-19(3)16-15-17-20(21)26-7-2/h15-17H,6-14,18H2,1-5H3,(H,24,25)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005933
PNG
(2,2-Dimethyl-nonanoic acid (2,4,6-trimethoxy-pheny...)
Show SMILES CCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C20H33NO4/c1-7-8-9-10-11-12-20(2,3)19(22)21-18-16(24-5)13-15(23-4)14-17(18)25-6/h13-14H,7-12H2,1-6H3,(H,21,22)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005989
PNG
(CHEMBL41571 | Tetradecanoic acid (2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)24-23-20(27-3)17-19(26-2)18-21(23)28-4/h17-18H,5-16H2,1-4H3,(H,24,25)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005945
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethyl-phen...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C23H39NO/c1-7-8-9-10-11-12-13-14-15-23(5,6)22(25)24-21-19(3)16-18(2)17-20(21)4/h16-17H,7-15H2,1-6H3,(H,24,25)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005940
PNG
(2-Methylene-dodecanoic acid (2,4,6-trimethoxy-phen...)
Show SMILES CCCCCCCCCCC(=C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C22H35NO4/c1-6-7-8-9-10-11-12-13-14-17(2)22(24)23-21-19(26-4)15-18(25-3)16-20(21)27-5/h15-16H,2,6-14H2,1,3-5H3,(H,23,24)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005966
PNG
(2,2-Dimethyl-dodecanoic acid (2-methoxy-6-methyl-p...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1OC
Show InChI InChI=1S/C22H37NO2/c1-6-7-8-9-10-11-12-13-17-22(3,4)21(24)23-20-18(2)15-14-16-19(20)25-5/h14-16H,6-13,17H2,1-5H3,(H,23,24)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005962
PNG
(2,2-Dimethyl-dodecanoic acid (2,6-diisopropyl-phen...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H45NO/c1-8-9-10-11-12-13-14-15-19-26(6,7)25(28)27-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,8-15,19H2,1-7H3,(H,27,28)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005963
PNG
(2,2-Dimethyl-dodecanoic acid (2-isopropyl-6-methyl...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1C(C)C
Show InChI InChI=1S/C24H41NO/c1-7-8-9-10-11-12-13-14-18-24(5,6)23(26)25-22-20(4)16-15-17-21(22)19(2)3/h15-17,19H,7-14,18H2,1-6H3,(H,25,26)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005984
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trifluoro-phen...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(F)cc(F)cc1F
Show InChI InChI=1S/C20H30F3NO/c1-4-5-6-7-8-9-10-11-12-20(2,3)19(25)24-18-16(22)13-15(21)14-17(18)23/h13-14H,4-12H2,1-3H3,(H,24,25)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005990
PNG
(CHEMBL41085 | Octadec-9-enoic acid (5,6,7,8-tetrah...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cccc2CCCCc12
Show InChI InChI=1S/C28H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-28(30)29-27-23-19-21-25-20-17-18-22-26(25)27/h9-10,19,21,23H,2-8,11-18,20,22,24H2,1H3,(H,29,30)/b10-9+
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005995
PNG
(2,2-Dimethyl-dodecanoic acid (2,6-diethyl-phenyl)-...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(CC)cccc1CC
Show InChI InChI=1S/C24H41NO/c1-6-9-10-11-12-13-14-15-19-24(4,5)23(26)25-22-20(7-2)17-16-18-21(22)8-3/h16-18H,6-15,19H2,1-5H3,(H,25,26)
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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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005946
PNG
(2,2-Dimethyl-dodecanoic acid (4-bromo-2,6-dimethyl...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cc(Br)cc1C
Show InChI InChI=1S/C22H36BrNO/c1-6-7-8-9-10-11-12-13-14-22(4,5)21(25)24-20-17(2)15-19(23)16-18(20)3/h15-16H,6-14H2,1-5H3,(H,24,25)
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n/an/a 410n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005936
PNG
(4-Methoxy-3-octadec-9-enoylamino-benzoic acid meth...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cc(ccc1OC)C(=O)OC
Show InChI InChI=1S/C27H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)28-24-22-23(27(30)32-3)20-21-25(24)31-2/h11-12,20-22H,4-10,13-19H2,1-3H3,(H,28,29)/b12-11+
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n/an/a 430n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005973
PNG
(CHEMBL291164 | Octadec-9-enoic acid (5-chloro-2,4-...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cc(Cl)c(OC)cc1OC
Show InChI InChI=1S/C26H42ClNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)28-23-20-22(27)24(30-2)21-25(23)31-3/h11-12,20-21H,4-10,13-19H2,1-3H3,(H,28,29)/b12-11+
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n/an/a 520n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005926
PNG
(2,2-Dimethyl-dodecanoic acid (2-hydroxy-4,6-dimeth...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(O)cc(OC)cc1OC
Show InChI InChI=1S/C22H37NO4/c1-6-7-8-9-10-11-12-13-14-22(2,3)21(25)23-20-18(24)15-17(26-4)16-19(20)27-5/h15-16,24H,6-14H2,1-5H3,(H,23,25)
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n/an/a 590n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005952
PNG
(CHEMBL41891 | Octadec-9-enoic acid (2-isopropyl-ph...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccccc1C(C)C
Show InChI InChI=1S/C27H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-27(29)28-26-22-20-19-21-25(26)24(2)3/h11-12,19-22,24H,4-10,13-18,23H2,1-3H3,(H,28,29)/b12-11+
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n/an/a 600n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005943
PNG
(2,2-Dimethyl-dodecanoic acid (2,4-dimethyl-phenyl)...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C22H37NO/c1-6-7-8-9-10-11-12-13-16-22(4,5)21(24)23-20-15-14-18(2)17-19(20)3/h14-15,17H,6-13,16H2,1-5H3,(H,23,24)
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n/an/a 680n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005951
PNG
(CHEMBL442157 | Octadec-9-enoic acid (2,4,6-trimeth...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(C)cc(C)cc1C
Show InChI InChI=1S/C27H45NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)28-27-24(3)21-23(2)22-25(27)4/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,28,29)/b13-12+
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n/an/a 700n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005982
PNG
(2,2-Dimethyl-dodecanoic acid (2-chloro-6-methyl-ph...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1Cl
Show InChI InChI=1S/C21H34ClNO/c1-5-6-7-8-9-10-11-12-16-21(3,4)20(24)23-19-17(2)14-13-15-18(19)22/h13-15H,5-12,16H2,1-4H3,(H,23,24)
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n/an/a 750n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005950
PNG
(CHEMBL38836 | Octadec-9-enoic acid biphenyl-2-ylam...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C30H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-30(32)31-29-25-21-20-24-28(29)27-22-17-16-18-23-27/h9-10,16-18,20-25H,2-8,11-15,19,26H2,1H3,(H,31,32)/b10-9+
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n/an/a 910n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005942
PNG
(CHEMBL40945 | Octadec-9-enoic acid (2,4,5-trimetho...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cc(OC)c(OC)cc1OC
Show InChI InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)28-23-21-25(31-3)26(32-4)22-24(23)30-2/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,28,29)/b13-12+
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n/an/a 1.10E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005937
PNG
(2,4-Dimethoxy-5-octadec-9-enoylamino-benzoic acid ...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cc(C(=O)OC)c(OC)cc1OC
Show InChI InChI=1S/C28H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)29-24-21-23(28(31)34-4)25(32-2)22-26(24)33-3/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,29,30)/b13-12+
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n/an/a 1.10E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005988
PNG
(CHEMBL431513 | Octadec-9-enoic acid (2-ethyl-pheny...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccccc1CC
Show InChI InChI=1S/C26H43NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(28)27-25-22-20-19-21-24(25)4-2/h11-12,19-22H,3-10,13-18,23H2,1-2H3,(H,27,28)/b12-11+
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n/an/a 1.20E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005976
PNG
(2,2-Dimethyl-dodecanoic acid (2,6-dimethyl-phenyl)...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C22H37NO/c1-6-7-8-9-10-11-12-13-17-22(4,5)21(24)23-20-18(2)15-14-16-19(20)3/h14-16H,6-13,17H2,1-5H3,(H,23,24)
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n/an/a 1.30E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005975
PNG
(2,2-Dimethyl-dodecanoic acid (3,4-dimethyl-phenyl)...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1ccc(C)c(C)c1
Show InChI InChI=1S/C22H37NO/c1-6-7-8-9-10-11-12-13-16-22(4,5)21(24)23-20-15-14-18(2)19(3)17-20/h14-15,17H,6-13,16H2,1-5H3,(H,23,24)
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n/an/a 1.66E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005948
PNG
(CHEMBL42575 | [2-(2,2-Dimethyl-dodecanoylamino)-3,...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OCC(=O)OC
Show InChI InChI=1S/C25H41NO6/c1-7-8-9-10-11-12-13-14-15-25(2,3)24(28)26-23-20(30-5)16-19(29-4)17-21(23)32-18-22(27)31-6/h16-17H,7-15,18H2,1-6H3,(H,26,28)
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n/an/a 2.30E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005978
PNG
((2-Methyl-4-octadec-9-enoylamino-phenyl)-acetic ac...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccc(CC(=O)OCC)c(C)c1
Show InChI InChI=1S/C29H47NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(31)30-27-22-21-26(25(3)23-27)24-29(32)33-5-2/h12-13,21-23H,4-11,14-20,24H2,1-3H3,(H,30,31)/b13-12+
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n/an/a 3.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005929
PNG
(CHEMBL44360 | Octadec-9-enoic acid (2,4-dimethoxy-...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccc(OC)cc1OC
Show InChI InChI=1S/C26H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)27-24-21-20-23(29-2)22-25(24)30-3/h11-12,20-22H,4-10,13-19H2,1-3H3,(H,27,28)/b12-11+
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n/an/a 3.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005968
PNG
(CHEMBL43812 | Octadec-9-enoic acid (3,4-dimethoxy-...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C26H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)27-23-20-21-24(29-2)25(22-23)30-3/h11-12,20-22H,4-10,13-19H2,1-3H3,(H,27,28)/b12-11+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005947
PNG
(2-Methyl-3-octadec-9-enoylamino-benzoic acid methy...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cccc(C(=O)OC)c1C
Show InChI InChI=1S/C27H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(29)28-25-21-19-20-24(23(25)2)27(30)31-3/h11-12,19-21H,4-10,13-18,22H2,1-3H3,(H,28,29)/b12-11+
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n/an/a>5.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005930
PNG
(CHEMBL44154 | Octadec-9-enoic acid (2,4,6-trifluor...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1c(F)cc(F)cc1F
Show InChI InChI=1S/C24H36F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(29)28-24-21(26)18-20(25)19-22(24)27/h9-10,18-19H,2-8,11-17H2,1H3,(H,28,29)/b10-9+
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n/an/a 6.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intestinal microsomes isolated from cholesterol-fed rabbits.


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005956
PNG
(CHEMBL44179 | Octadec-9-enoic acid (2-methoxy-phen...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccccc1OC
Show InChI InChI=1S/C25H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25(27)26-23-20-18-19-21-24(23)28-2/h10-11,18-21H,3-9,12-17,22H2,1-2H3,(H,26,27)/b11-10+
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n/an/a 8.00E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005992
PNG
(5-Methyl-2-octadec-9-enoylamino-benzoic acid methy...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccc(C)cc1C(=O)OC
Show InChI InChI=1S/C27H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)28-25-21-20-23(2)22-24(25)27(30)31-3/h11-12,20-22H,4-10,13-19H2,1-3H3,(H,28,29)/b12-11+
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n/an/a 9.20E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005935
PNG
(CHEMBL40688 | Octadec-9-enoic acid (2-benzoyl-phen...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C31H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-30(33)32-29-25-21-20-24-28(29)31(34)27-22-17-16-18-23-27/h9-10,16-18,20-25H,2-8,11-15,19,26H2,1H3,(H,32,33)/b10-9+
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n/an/a>1.00E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005991
PNG
(CHEMBL40506 | [2-(2,2-Dimethyl-dodecanoylamino)-3,...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OCC(O)=O
Show InChI InChI=1S/C24H39NO6/c1-6-7-8-9-10-11-12-13-14-24(2,3)23(28)25-22-19(30-5)15-18(29-4)16-20(22)31-17-21(26)27/h15-16H,6-14,17H2,1-5H3,(H,25,28)(H,26,27)
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n/an/a>1.00E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005958
PNG
(CHEMBL297559 | Octadec-9-enoic acid (3-methyl-2-ni...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cccc(C)c1[N+]([O-])=O
Show InChI InChI=1S/C25H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(28)26-23-20-18-19-22(2)25(23)27(29)30/h10-11,18-20H,3-9,12-17,21H2,1-2H3,(H,26,28)/b11-10+
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n/an/a 1.20E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50147178
PNG
((Z)-Octadec-9-enoic acid phenylamide | CHEMBL15611...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26)/b10-9-
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n/an/a 2.60E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005928
PNG
(CHEMBL42048 | Octadec-9-enoic acid (2,4-difluoro-p...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H37F2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-23-19-18-21(25)20-22(23)26/h9-10,18-20H,2-8,11-17H2,1H3,(H,27,28)/b10-9+
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n/an/a 3.20E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50005977
PNG
(CHEMBL40689 | Octadec-9-enoic acid (2-chloro-pheny...)
Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C24H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(27)26-23-20-18-17-19-22(23)25/h9-10,17-20H,2-8,11-16,21H2,1H3,(H,26,27)/b10-9+
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n/an/a 7.50E+4n/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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%