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PubMed code 8021912

Compile data set for download or QSAR
Found 7 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
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50028880
PNG
((3S,4R)-3-Ethyl-4-phenyl-3-(3-phenyl-propyl)-1-(2,...)
Show SMILES CC[C@]1(CCCc2ccccc2)[C@H](N(C1=O)c1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c1-5-29(18-12-15-21-13-8-6-9-14-21)27(22-16-10-7-11-17-22)30(28(29)31)26-24(33-3)19-23(32-2)20-25(26)34-4/h6-11,13-14,16-17,19-20,27H,5,12,15,18H2,1-4H3/t27-,29+/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity using microsomal ACAT assay


J Med Chem 37: 1733-6 (1994)


Article DOI: 10.1021/jm00038a001
BindingDB Entry DOI: 10.7270/Q20P0Z20
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50028888
PNG
((3S,4R)-1-(4-Methoxy-phenyl)-3,4-diphenyl-3-(3-phe...)
Show SMILES COc1ccc(cc1)N1[C@H](c2ccccc2)[C@@](CCCc2ccccc2)(C1=O)c1ccccc1
Show InChI InChI=1S/C31H29NO2/c1-34-28-21-19-27(20-22-28)32-29(25-15-7-3-8-16-25)31(30(32)33,26-17-9-4-10-18-26)23-11-14-24-12-5-2-6-13-24/h2-10,12-13,15-22,29H,11,14,23H2,1H3/t29-,31+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity using microsomal ACAT assay


J Med Chem 37: 1733-6 (1994)


Article DOI: 10.1021/jm00038a001
BindingDB Entry DOI: 10.7270/Q20P0Z20
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
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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n/an/a 6.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity using microsomal ACAT assay


J Med Chem 37: 1733-6 (1994)


Article DOI: 10.1021/jm00038a001
BindingDB Entry DOI: 10.7270/Q20P0Z20
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50028877
PNG
((3S,4R)-1-(4-Methoxy-phenyl)-3,4-diphenyl-3-phenyl...)
Show SMILES COc1ccc(cc1)N1[C@H](c2ccccc2)[C@@](C(=O)Cc2ccccc2)(C1=O)c1ccccc1
Show InChI InChI=1S/C30H25NO3/c1-34-26-19-17-25(18-20-26)31-28(23-13-7-3-8-14-23)30(29(31)33,24-15-9-4-10-16-24)27(32)21-22-11-5-2-6-12-22/h2-20,28H,21H2,1H3/t28-,30-/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity using microsomal ACAT assay


J Med Chem 37: 1733-6 (1994)


Article DOI: 10.1021/jm00038a001
BindingDB Entry DOI: 10.7270/Q20P0Z20
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50028867
PNG
((3R,4S)-1,4-Bis-(4-methoxy-phenyl)-3-(3-phenyl-pro...)
Show SMILES COc1ccc(cc1)[C@@H]1[C@@H](CCCc2ccccc2)C(=O)N1c1ccc(OC)cc1
Show InChI InChI=1S/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
The concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity was measured at the dosage by using microsomal ...


J Med Chem 37: 1733-6 (1994)


Article DOI: 10.1021/jm00038a001
BindingDB Entry DOI: 10.7270/Q20P0Z20
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50038417
PNG
((3R,4R)-3-Ethyl-4-phenyl-3-(3-phenyl-propyl)-1-(2,...)
Show SMILES CC[C@@]1(CCCc2ccccc2)[C@H](N(C1=O)c1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c1-5-29(18-12-15-21-13-8-6-9-14-21)27(22-16-10-7-11-17-22)30(28(29)31)26-24(33-3)19-23(32-2)20-25(26)34-4/h6-11,13-14,16-17,19-20,27H,5,12,15,18H2,1-4H3/t27-,29-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity using microsomal ACAT assay


J Med Chem 37: 1733-6 (1994)


Article DOI: 10.1021/jm00038a001
BindingDB Entry DOI: 10.7270/Q20P0Z20
More data for this
Ligand-Target Pair
Sterol O-acyltransferase, Soat


(Rattus norvegicus)
BDBM50028867
PNG
((3R,4S)-1,4-Bis-(4-methoxy-phenyl)-3-(3-phenyl-pro...)
Show SMILES COc1ccc(cc1)[C@@H]1[C@@H](CCCc2ccccc2)C(=O)N1c1ccc(OC)cc1
Show InChI InChI=1S/C26H27NO3/c1-29-22-15-11-20(12-16-22)25-24(10-6-9-19-7-4-3-5-8-19)26(28)27(25)21-13-17-23(30-2)18-14-21/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Acyl coenzyme A:cholesterol acyltransferase activity using microsomal ACAT assay


J Med Chem 37: 1733-6 (1994)


Article DOI: 10.1021/jm00038a001
BindingDB Entry DOI: 10.7270/Q20P0Z20
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%