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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Sterol O-acyltransferase 1' and Ligand = 'BDBM50079716'   
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
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 35n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
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n/an/a 36n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
PDB

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n/an/a 36n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine adrenal gland


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
PDB

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n/an/a 43n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from rabbit liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
PDB

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n/an/a 3.57E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from canine liver


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50079716
PNG
((5E,8E,11E,14E,17E,20E)-Docosa-5,8,11,14,17,20-hex...)
Show SMILES C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C34H49NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-33(36)35-34-31(29(2)3)26-25-27-32(34)30(4)5/h6-7,9-10,12-13,15-16,18-19,21-22,25-27,29-30H,8,11,14,17,20,23-24,28H2,1-5H3,(H,35,36)/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
PDB

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n/an/a 7.24E+3n/an/an/an/an/an/a



Azwell Inc.

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against ACAT from U937 microsome in human


Bioorg Med Chem Lett 9: 2039-42 (1999)


BindingDB Entry DOI: 10.7270/Q2FF3RJJ
More data for this
Ligand-Target Pair