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PubMed code 2033594

Compile data set for download or QSAR
Found 9 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 1


(Rattus norvegicus)		BDBM50229236
PNG
(CHEMBL46356)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Cn1c2C(=O)N(Cc2c(=O)n2nc(cc12)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C28H25N5O5/c34-24(19-10-7-13-21(14-19)33(37)38)17-31-25-15-23(18-8-3-1-4-9-18)29-32(25)27(35)22-16-30(28(36)26(22)31)20-11-5-2-6-12-20/h1,3-4,7-10,13-15,20H,2,5-6,11-12,16-17H2
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n/an/a 2.73E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50229241
PNG
(CHEMBL295382)
Show SMILES O=C(Cn1c2C(=O)N(Cc2c(=O)n2nc(cc12)-c1ccccc1)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-24(20-12-6-2-7-13-20)18-31-25-16-23(19-10-4-1-5-11-19)29-32(25)27(34)22-17-30(28(35)26(22)31)21-14-8-3-9-15-21/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17-18H2
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n/an/a 3.64E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50229233
PNG
(CHEMBL299604)
Show SMILES O=C(Cn1c2C(=O)N(Cc3ccccc3)Cc2c(=O)n2nc(cc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H22N4O3/c34-25(22-14-8-3-9-15-22)19-32-26-16-24(21-12-6-2-7-13-21)30-33(26)28(35)23-18-31(29(36)27(23)32)17-20-10-4-1-5-11-20/h1-16H,17-19H2
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n/an/a 5.47E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50229237
PNG
(CHEMBL47580)
Show SMILES CC(C)CC(C)N1Cc2c(C1=O)n(CC(=O)c1ccccc1)c1cc(nn1c2=O)-c1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-18(2)14-19(3)30-16-22-26(28(30)35)31(17-24(33)21-12-8-5-9-13-21)25-15-23(29-32(25)27(22)34)20-10-6-4-7-11-20/h4-13,15,18-19H,14,16-17H2,1-3H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50229239
PNG
(CHEMBL297571)
Show SMILES O=C1N(Cc2c1n(Cc1ccccc1)c1cc(nn1c2=O)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C27H26N4O2/c32-26-22-18-29(21-14-8-3-9-15-21)27(33)25(22)30(17-19-10-4-1-5-11-19)24-16-23(28-31(24)26)20-12-6-2-7-13-20/h1-2,4-7,10-13,16,21H,3,8-9,14-15,17-18H2
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n/an/a 7.98E+3n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50229235
PNG
(CHEMBL46610)
Show SMILES O=C1N(Cc2ccccc2)Cc2c1n(Cc1ccccc1)c1cc(nn1c2=O)-c1ccccc1
Show InChI InChI=1S/C28H22N4O2/c33-27-23-19-30(17-20-10-4-1-5-11-20)28(34)26(23)31(18-21-12-6-2-7-13-21)25-16-24(29-32(25)27)22-14-8-3-9-15-22/h1-16H,17-19H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50229234
PNG
(CHEMBL416090)
Show SMILES C=CCOc1ccc(cc1)-c1cc2n(Cc3ccccc3)c3C(=O)N(Cc3c(=O)n2n1)C1CCCCC1
Show InChI InChI=1S/C30H30N4O3/c1-2-17-37-24-15-13-22(14-16-24)26-18-27-33(19-21-9-5-3-6-10-21)28-25(29(35)34(27)31-26)20-32(30(28)36)23-11-7-4-8-12-23/h2-3,5-6,9-10,13-16,18,23H,1,4,7-8,11-12,17,19-20H2
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n/an/a 1.15E+4n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50229238
PNG
(CHEMBL297097)
Show SMILES O=C1N(Cc2c1n(C\C=C\c1ccccc1)c1cc(nn1c2=O)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C29H28N4O2/c34-28-24-20-32(23-16-8-3-9-17-23)29(35)27(24)31(18-10-13-21-11-4-1-5-12-21)26-19-25(30-33(26)28)22-14-6-2-7-15-22/h1-2,4-7,10-15,19,23H,3,8-9,16-18,20H2/b13-10+
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n/an/a 1.54E+4n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50229240
PNG
(CHEMBL417538)
Show SMILES O=C1N(Cc2c1n(CSc1ccccc1)c1cc(nn1c2=O)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C27H26N4O2S/c32-26-22-17-29(20-12-6-2-7-13-20)27(33)25(22)30(18-34-21-14-8-3-9-15-21)24-16-23(28-31(24)26)19-10-4-1-5-11-19/h1,3-5,8-11,14-16,20H,2,6-7,12-13,17-18H2
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n/an/a 2.29E+4n/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
In vitro inhibition of Fu5AH acyl coenzyme A:cholesterol acyltransferase.

J Med Chem 34: 1721-7 (1991)


BindingDB Entry DOI: 10.7270/Q2CC12X4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%