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PubMed code 8027989

Compile data set for download or QSAR
Found 28 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)		BDBM50038923
PNG
(1-[4-(2-Chloro-phenyl)-6,7-dimethyl-quinolin-3-yl]...)
Show SMILES Cc1cc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2cc1C |(2.13,-.58,;3.46,-1.35,;4.79,-.57,;6.14,-1.34,;7.45,-.57,;8.8,-1.33,;8.8,-2.88,;10.13,-3.64,;11.46,-2.87,;11.46,-1.33,;12.81,-3.62,;12.82,-5.16,;11.49,-5.93,;11.49,-7.47,;12.84,-8.24,;12.84,-9.78,;14.17,-7.45,;14.15,-5.93,;15.48,-5.14,;7.47,-3.65,;7.47,-5.19,;6.14,-5.96,;6.14,-7.5,;7.47,-8.27,;8.8,-7.47,;8.82,-5.96,;10.3,-6.35,;6.14,-2.88,;4.81,-3.65,;3.46,-2.89,;2.13,-3.67,)|
Show InChI InChI=1S/C24H18ClF2N3O/c1-13-9-17-21(10-14(13)2)28-12-22(23(17)16-5-3-4-6-18(16)25)30-24(31)29-20-8-7-15(26)11-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
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n/an/a 5.80n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038906
PNG
(1-[8-Chloro-4-(2-chloro-phenyl)-6-methyl-quinolin-...)
Show SMILES Cc1cc(Cl)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(2.12,-4.41,;3.45,-3.62,;3.45,-2.08,;4.78,-1.31,;4.77,.23,;6.12,-2.08,;7.44,-1.31,;8.78,-2.06,;8.78,-3.62,;10.13,-4.37,;11.46,-3.6,;11.44,-2.06,;12.79,-4.37,;12.79,-5.91,;11.46,-6.68,;11.48,-8.22,;12.82,-8.98,;12.83,-10.52,;14.15,-8.2,;14.14,-6.66,;15.47,-5.88,;7.45,-4.39,;7.45,-5.93,;6.12,-6.7,;6.12,-8.24,;7.45,-9.01,;8.8,-8.22,;8.8,-6.7,;10.29,-7.09,;6.12,-3.62,;4.79,-4.39,)|
Show InChI InChI=1S/C23H15Cl2F2N3O/c1-12-8-15-21(14-4-2-3-5-16(14)24)20(11-28-22(15)17(25)9-12)30-23(31)29-19-7-6-13(26)10-18(19)27/h2-11H,1H3,(H2,29,30,31)
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n/an/a 8.90n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038918
PNG
(1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]...)
Show SMILES Cc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(-12.26,-4.7,;-10.94,-3.92,;-10.94,-2.38,;-9.61,-1.59,;-9.63,-.05,;-8.28,-2.36,;-6.95,-1.59,;-5.62,-2.36,;-5.6,-3.9,;-4.26,-4.67,;-2.93,-3.9,;-2.94,-2.36,;-1.6,-4.65,;-1.59,-6.19,;-2.92,-6.96,;-2.91,-8.5,;-1.56,-9.27,;-1.56,-10.81,;-.23,-8.48,;-.25,-6.95,;1.08,-6.17,;-6.93,-4.67,;-6.93,-6.21,;-8.28,-6.98,;-8.28,-8.52,;-6.93,-9.29,;-5.59,-8.5,;-5.59,-6.98,;-4.11,-7.38,;-8.28,-3.9,;-9.61,-4.67,)|
Show InChI InChI=1S/C24H18ClF2N3O/c1-13-9-14(2)23-17(10-13)22(16-5-3-4-6-18(16)25)21(12-28-23)30-24(31)29-20-8-7-15(26)11-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
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n/an/a 9.20n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038900
PNG
(1-(7-Chloro-6-methyl-4-o-tolyl-quinolin-3-yl)-3-(2...)
Show SMILES Cc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2cc(Cl)c(C)cc12 |(.68,-4.93,;2.01,-5.7,;2.01,-7.24,;3.34,-8.01,;4.67,-7.22,;4.7,-5.7,;3.34,-4.93,;3.34,-3.39,;4.67,-2.62,;6.02,-3.38,;7.35,-2.61,;7.33,-1.07,;8.69,-3.37,;8.69,-4.91,;7.36,-5.68,;7.37,-7.22,;8.71,-7.99,;8.73,-9.53,;10.04,-7.19,;10.03,-5.67,;11.36,-4.88,;4.67,-1.07,;3.34,-.31,;2.01,-1.08,;.68,-.31,;-.65,-1.08,;-1.98,-.33,;-.65,-2.64,;-1.98,-3.41,;.68,-3.39,;2.01,-2.62,)|
Show InChI InChI=1S/C24H18ClF2N3O/c1-13-5-3-4-6-16(13)23-17-9-14(2)18(25)11-21(17)28-12-22(23)30-24(31)29-20-8-7-15(26)10-19(20)27/h3-12H,1-2H3,(H2,29,30,31)
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n/an/a 9.30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038920
PNG
(1-[6-Chloro-4-(2-chloro-phenyl)-8-methyl-quinolin-...)
Show SMILES Cc1cc(Cl)cc2c(c(NC(=O)Nc3ccc(F)cc3F)cnc12)-c1ccccc1Cl |(3.32,3.33,;3.32,1.79,;1.99,1,;1.99,-.54,;.66,-1.31,;3.34,-1.29,;4.67,-.52,;6,-1.29,;7.33,-.52,;8.66,-1.28,;9.99,-.51,;9.99,1.03,;11.34,-1.27,;11.35,-2.81,;10.02,-3.58,;10.02,-5.12,;11.37,-5.89,;11.37,-7.43,;12.7,-5.09,;12.68,-3.57,;14.01,-2.78,;7.33,1.03,;5.98,1.79,;4.67,1.02,;6,-2.83,;4.67,-3.6,;4.67,-5.14,;6,-5.91,;7.33,-5.12,;7.35,-3.6,;8.83,-4,)|
Show InChI InChI=1S/C23H15Cl2F2N3O/c1-12-8-13(24)9-16-21(15-4-2-3-5-17(15)25)20(11-28-22(12)16)30-23(31)29-19-7-6-14(26)10-18(19)27/h2-11H,1H3,(H2,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038922
PNG
(1-(2,4-Difluoro-phenyl)-3-(6,8-dimethyl-4-o-tolyl-...)
Show SMILES Cc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1 |(1.2,-4.35,;2.53,-3.57,;2.53,-2.03,;3.86,-1.24,;3.85,.3,;5.19,-2.01,;6.52,-1.24,;7.85,-2.01,;7.86,-3.55,;9.2,-4.32,;10.53,-3.55,;10.52,-2.01,;11.86,-4.3,;11.88,-5.84,;10.55,-6.61,;10.55,-8.15,;11.9,-8.92,;11.91,-10.46,;13.23,-8.13,;13.21,-6.6,;14.54,-5.82,;6.53,-4.32,;6.53,-5.86,;7.87,-6.63,;7.87,-8.15,;6.53,-8.94,;5.19,-8.17,;5.19,-6.63,;3.86,-5.86,;5.19,-3.55,;3.86,-4.32,)|
Show InChI InChI=1S/C25H21F2N3O/c1-14-10-16(3)24-19(11-14)23(18-7-5-4-6-15(18)2)22(13-28-24)30-25(31)29-21-9-8-17(26)12-20(21)27/h4-13H,1-3H3,(H2,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038919
PNG
(1-[4-(2-Chloro-phenyl)-6-ethyl-quinolin-3-yl]-3-(2...)
Show SMILES CCc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(2.57,-2.46,;3.92,-3.23,;5.25,-2.45,;5.25,-.91,;6.58,-.12,;7.92,-.89,;9.24,-.12,;10.58,-.89,;10.58,-2.43,;11.92,-3.2,;13.25,-2.43,;13.24,-.89,;14.59,-3.18,;14.59,-4.72,;13.26,-5.49,;13.28,-7.03,;14.61,-7.8,;14.63,-9.34,;15.94,-7.01,;15.94,-5.48,;17.27,-4.7,;9.25,-3.2,;9.25,-4.74,;7.92,-5.51,;7.92,-7.05,;9.25,-7.82,;10.59,-7.03,;10.6,-5.51,;12.09,-5.91,;7.92,-2.43,;6.59,-3.2,)|
Show InChI InChI=1S/C24H18ClF2N3O/c1-2-14-7-9-20-17(11-14)23(16-5-3-4-6-18(16)25)22(13-28-20)30-24(31)29-21-10-8-15(26)12-19(21)27/h3-13H,2H2,1H3,(H2,29,30,31)
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n/an/a 14n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038905
PNG
(1-[4-(2-Chloro-phenyl)-6-isopropyl-quinolin-3-yl]-...)
Show SMILES CC(C)c1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(4.98,-2.01,;6.32,-2.76,;6.33,-4.3,;7.65,-1.99,;7.65,-.44,;8.98,.33,;10.32,-.44,;11.64,.34,;12.98,-.43,;12.98,-1.97,;14.33,-2.74,;15.66,-1.97,;15.64,-.43,;16.99,-2.73,;16.99,-4.27,;15.66,-5.04,;15.68,-6.58,;17.02,-7.33,;17.03,-8.87,;18.35,-6.56,;18.34,-5.02,;19.67,-4.23,;11.65,-2.75,;11.65,-4.29,;10.32,-5.05,;10.32,-6.59,;11.65,-7.36,;13,-6.58,;13,-5.05,;14.49,-5.44,;10.32,-1.98,;8.99,-2.74,)|
Show InChI InChI=1S/C25H20ClF2N3O/c1-14(2)15-7-9-21-18(11-15)24(17-5-3-4-6-19(17)26)23(13-29-21)31-25(32)30-22-10-8-16(27)12-20(22)28/h3-14H,1-2H3,(H2,30,31,32)
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n/an/a 14n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038915
PNG
(1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]...)
Show SMILES Cc1cc(C)c2ncc(NC(=O)Nc3c(F)cc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(.85,-3.29,;2.18,-2.5,;2.18,-.96,;3.51,-.19,;3.5,1.35,;4.84,-.96,;6.17,-.17,;7.5,-.94,;7.51,-2.5,;8.85,-3.25,;10.18,-2.48,;10.17,-.94,;11.51,-3.25,;11.53,-4.79,;12.86,-5.54,;14.19,-4.76,;12.88,-7.08,;11.55,-7.86,;11.56,-9.4,;10.2,-7.1,;10.2,-5.56,;8.7,-5.95,;6.18,-3.27,;6.18,-4.81,;7.52,-5.58,;7.52,-7.1,;6.18,-7.89,;4.84,-7.12,;4.84,-5.58,;3.51,-4.81,;4.84,-2.5,;3.51,-3.27,)|
Show InChI InChI=1S/C24H17ClF3N3O/c1-12-7-13(2)22-16(8-12)21(15-5-3-4-6-17(15)25)20(11-29-22)30-24(32)31-23-18(27)9-14(26)10-19(23)28/h3-11H,1-2H3,(H2,30,31,32)
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n/an/a 15n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038912
PNG
(1-[4-(2-Chloro-phenyl)-6-methyl-quinolin-3-yl]-3-(...)
Show SMILES Cc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 |(-13.32,-5.89,;-11.98,-5.12,;-11.98,-3.57,;-10.68,-2.8,;-9.33,-3.57,;-8,-2.78,;-6.67,-3.55,;-6.67,-5.09,;-5.32,-5.86,;-3.99,-5.09,;-4.01,-3.55,;-2.65,-5.86,;-2.65,-7.4,;-3.98,-8.17,;-3.97,-9.71,;-2.63,-10.46,;-2.61,-12,;-1.3,-9.68,;-1.31,-8.15,;.02,-7.36,;-8,-5.88,;-8,-7.42,;-9.33,-8.17,;-9.33,-9.71,;-8,-10.48,;-6.65,-9.71,;-6.64,-8.17,;-5.1,-8.17,;-9.33,-5.11,;-10.66,-5.86,)|
Show InChI InChI=1S/C23H16ClF2N3O/c1-13-6-8-19-16(10-13)22(15-4-2-3-5-17(15)24)21(12-27-19)29-23(30)28-20-9-7-14(25)11-18(20)26/h2-12H,1H3,(H2,28,29,30)
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n/an/a 16.8n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038901
PNG
(1-[6-Chloro-4-(2-chloro-phenyl)-quinolin-3-yl]-3-(...)
Show SMILES Fc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2Cl)c(F)c1 |(9.52,-8.56,;9.5,-7.02,;8.17,-6.26,;8.15,-4.72,;9.48,-3.95,;9.48,-2.41,;8.14,-1.64,;8.13,-.1,;6.81,-2.43,;5.47,-1.66,;5.47,-.1,;4.13,.65,;2.81,-.12,;1.47,.65,;.14,-.12,;.14,-1.66,;-1.21,-2.43,;1.47,-2.43,;2.81,-1.66,;4.14,-2.43,;4.14,-3.97,;5.49,-4.74,;5.48,-6.26,;4.14,-7.05,;2.81,-6.28,;2.81,-4.74,;1.48,-3.97,;10.83,-4.7,;12.16,-3.92,;10.83,-6.24,)|
Show InChI InChI=1S/C22H13Cl2F2N3O/c23-12-5-7-18-15(9-12)21(14-3-1-2-4-16(14)24)20(11-27-18)29-22(30)28-19-8-6-13(25)10-17(19)26/h1-11H,(H2,28,29,30)
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n/an/a 21.2n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038907
PNG
(1-(2,4-Difluoro-phenyl)-3-(6-methyl-4-o-tolyl-quin...)
Show SMILES Cc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1 |(3.34,-3.16,;4.67,-2.39,;4.67,-.84,;6,-.05,;7.35,-.84,;8.66,-.05,;10.01,-.82,;10.02,-2.36,;11.35,-3.13,;12.68,-2.36,;12.68,-.82,;14.02,-3.13,;14.03,-4.67,;12.7,-5.44,;12.7,-6.98,;14.05,-7.73,;14.05,-9.27,;15.38,-6.95,;15.36,-5.42,;16.69,-4.63,;8.69,-3.15,;8.69,-4.69,;10.03,-5.44,;10.02,-6.98,;8.69,-7.75,;7.35,-6.98,;7.35,-5.44,;6.02,-4.67,;7.35,-2.38,;6.02,-3.13,)|
Show InChI InChI=1S/C24H19F2N3O/c1-14-7-9-20-18(11-14)23(17-6-4-3-5-15(17)2)22(13-27-20)29-24(30)28-21-10-8-16(25)12-19(21)26/h3-13H,1-2H3,(H2,28,29,30)
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n/an/a 21.7n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038916
PNG
(1-[6-Chloro-4-(2-methoxy-phenyl)-quinolin-3-yl]-3-...)
Show SMILES COc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2ccc(Cl)cc12 |(7.14,-4.74,;8.24,-3.66,;9.57,-4.43,;9.57,-5.97,;10.9,-6.74,;12.23,-5.96,;12.25,-4.43,;10.9,-3.67,;10.9,-2.13,;12.23,-1.35,;13.56,-2.11,;14.89,-1.34,;14.89,.2,;16.24,-2.11,;16.25,-3.65,;14.92,-4.42,;14.92,-5.96,;16.27,-6.72,;16.27,-8.26,;17.6,-5.93,;17.58,-4.39,;18.91,-3.62,;12.23,.2,;10.88,.96,;9.57,.18,;8.22,.95,;6.89,.18,;6.89,-1.36,;5.56,-2.13,;8.24,-2.12,;9.57,-1.36,)|
Show InChI InChI=1S/C23H16ClF2N3O2/c1-31-21-5-3-2-4-15(21)22-16-10-13(24)6-8-18(16)27-12-20(22)29-23(30)28-19-9-7-14(25)11-17(19)26/h2-12H,1H3,(H2,28,29,30)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038914
PNG
(1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cnc2c(C)cc(C)cc2c1-c1ccccc1Cl |(16.66,-1.52,;15.31,-.75,;15.31,.79,;13.98,-1.55,;14.01,-3.08,;12.68,-3.86,;11.32,-3.1,;11.32,-1.56,;9.83,-1.96,;8.75,-.85,;9.41,-3.44,;12.65,-.79,;12.65,.75,;11.3,1.51,;11.3,3.05,;9.97,.74,;8.64,1.51,;8.63,3.05,;7.29,3.82,;5.97,3.03,;4.63,3.8,;4.63,5.34,;3.3,3.03,;3.3,1.49,;1.97,.72,;4.64,.74,;5.97,1.49,;7.31,.72,;7.31,-.82,;8.66,-1.57,;8.64,-3.1,;7.31,-3.88,;5.97,-3.11,;5.97,-1.57,;4.64,-.8,)|
Show InChI InChI=1S/C30H32ClN3O/c1-17(2)21-11-9-12-22(18(3)4)29(21)34-30(35)33-26-16-32-28-20(6)14-19(5)15-24(28)27(26)23-10-7-8-13-25(23)31/h7-18H,1-6H3,(H2,33,34,35)
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n/an/a 28n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038909
PNG
(1-(6-Chloro-4-o-tolyl-quinolin-3-yl)-3-(2,4-difluo...)
Show SMILES Cc1ccccc1-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2ccc(Cl)cc12 |(4.13,-9.36,;5.46,-10.13,;5.46,-11.67,;6.8,-12.44,;8.13,-11.65,;8.14,-10.13,;6.8,-9.36,;6.8,-7.82,;8.13,-7.05,;9.46,-7.82,;10.79,-7.05,;10.78,-5.51,;12.13,-7.8,;12.14,-9.34,;10.81,-10.11,;10.81,-11.65,;12.16,-12.42,;12.16,-13.96,;13.49,-11.63,;13.47,-10.1,;14.8,-9.32,;8.12,-5.51,;6.77,-4.74,;5.46,-5.51,;4.11,-4.74,;2.78,-5.53,;2.78,-7.07,;1.45,-7.82,;4.13,-7.82,;5.46,-7.05,)|
Show InChI InChI=1S/C23H16ClF2N3O/c1-13-4-2-3-5-16(13)22-17-10-14(24)6-8-19(17)27-12-21(22)29-23(30)28-20-9-7-15(25)11-18(20)26/h2-12H,1H3,(H2,28,29,30)
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n/an/a 28.7n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038913
PNG
(1-[6-Chloro-4-(3-chloro-phenyl)-quinolin-3-yl]-3-(...)
Show SMILES Fc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2cccc(Cl)c2)c(F)c1
Show InChI InChI=1S/C22H13Cl2F2N3O/c23-13-3-1-2-12(8-13)21-16-9-14(24)4-6-18(16)27-11-20(21)29-22(30)28-19-7-5-15(25)10-17(19)26/h1-11H,(H2,28,29,30)
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n/an/a 90.6n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038917
PNG
(1-[6-Chloro-4-(4-methoxy-phenyl)-quinolin-3-yl]-3-...)
Show SMILES COc1ccc(cc1)-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2ccc(Cl)cc12
Show InChI InChI=1S/C23H16ClF2N3O2/c1-31-16-6-2-13(3-7-16)22-17-10-14(24)4-8-19(17)27-12-21(22)29-23(30)28-20-9-5-15(25)11-18(20)26/h2-12H,1H3,(H2,28,29,30)
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n/an/a 121n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038908
PNG
(1-[4-(2-Chloro-phenyl)-quinolin-3-yl]-3-(2,4-diflu...)
Show SMILES Fc1ccc(NC(=O)Nc2cnc3ccccc3c2-c2ccccc2Cl)c(F)c1 |(8.52,-13.45,;8.52,-11.91,;7.17,-11.15,;7.17,-9.61,;8.5,-8.84,;8.49,-7.3,;7.15,-6.54,;7.15,-5,;5.82,-7.31,;4.49,-6.54,;4.48,-5,;3.13,-4.23,;1.82,-5.02,;.47,-4.25,;-.86,-5.02,;-.86,-6.56,;.49,-7.31,;1.82,-6.56,;3.16,-7.33,;3.16,-8.87,;4.5,-9.62,;4.49,-11.15,;3.16,-11.93,;1.82,-11.16,;1.82,-9.62,;.49,-8.85,;9.83,-9.6,;11.16,-8.8,;9.85,-11.13,)|
Show InChI InChI=1S/C22H14ClF2N3O/c23-16-7-3-1-5-14(16)21-15-6-2-4-8-18(15)26-12-20(21)28-22(29)27-19-10-9-13(24)11-17(19)25/h1-12H,(H2,27,28,29)
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n/an/a 125n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038925
PNG
(1-[4-(2-Chloro-phenyl)-5-methyl-quinolin-3-yl]-3-(...)
Show SMILES Cc1cccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c12 |(1.78,-4.99,;1.77,-3.45,;.43,-2.69,;.43,-1.15,;1.76,-.38,;3.1,-1.15,;4.42,-.37,;5.76,-1.13,;5.77,-2.68,;7.1,-3.44,;8.43,-2.67,;8.43,-1.13,;9.78,-3.44,;9.78,-4.98,;8.45,-5.75,;8.45,-7.29,;9.81,-8.05,;9.81,-9.59,;11.14,-7.26,;11.11,-5.72,;12.44,-4.95,;4.44,-3.46,;4.44,-5,;3.1,-5.76,;3.1,-7.3,;4.44,-8.06,;5.77,-7.29,;5.79,-5.76,;7.33,-5.76,;3.1,-2.69,)|
Show InChI InChI=1S/C23H16ClF2N3O/c1-13-5-4-8-19-21(13)22(15-6-2-3-7-16(15)24)20(12-27-19)29-23(30)28-18-10-9-14(25)11-17(18)26/h2-12H,1H3,(H2,28,29,30)
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n/an/a 149n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038910
PNG
(1-(6-Chloro-4-p-tolyl-quinolin-3-yl)-3-(2,4-difluo...)
Show SMILES Cc1ccc(cc1)-c1c(NC(=O)Nc2ccc(F)cc2F)cnc2ccc(Cl)cc12
Show InChI InChI=1S/C23H16ClF2N3O/c1-13-2-4-14(5-3-13)22-17-10-15(24)6-8-19(17)27-12-21(22)29-23(30)28-20-9-7-16(25)11-18(20)26/h2-12H,1H3,(H2,28,29,30)
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Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038904
PNG
(1-(6-Chloro-4-phenyl-quinolin-3-yl)-3-(2,4-difluor...)
Show SMILES Fc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)c(F)c1
Show InChI InChI=1S/C22H14ClF2N3O/c23-14-6-8-18-16(10-14)21(13-4-2-1-3-5-13)20(12-26-18)28-22(29)27-19-9-7-15(24)11-17(19)25/h1-12H,(H2,27,28,29)
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n/an/a 215n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038902
PNG
(1-[6-Chloro-4-(4-chloro-phenyl)-quinolin-3-yl]-3-(...)
Show SMILES Fc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C22H13Cl2F2N3O/c23-13-3-1-12(2-4-13)21-16-9-14(24)5-7-18(16)27-11-20(21)29-22(30)28-19-8-6-15(25)10-17(19)26/h1-11H,(H2,28,29,30)
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n/an/a 534n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038911
PNG
(1-(6-Chloro-4-phenyl-quinolin-3-yl)-3-(4-fluoro-ph...)
Show SMILES Fc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C22H15ClFN3O/c23-15-6-11-19-18(12-15)21(14-4-2-1-3-5-14)20(13-25-19)27-22(28)26-17-9-7-16(24)8-10-17/h1-13H,(H2,26,27,28)
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n/an/a 800n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038926
PNG
(1-(6-Chloro-4-phenyl-quinolin-3-yl)-3-(2,4-dimetho...)
Show SMILES COc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1
Show InChI InChI=1S/C24H20ClN3O3/c1-30-17-9-11-20(22(13-17)31-2)27-24(29)28-21-14-26-19-10-8-16(25)12-18(19)23(21)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,27,28,29)
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n/an/a 864n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038927
PNG
(1-(6-Chloro-4-phenyl-quinolin-3-yl)-3-(2-fluoro-ph...)
Show SMILES Fc1ccccc1NC(=O)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1
Show InChI InChI=1S/C22H15ClFN3O/c23-15-10-11-18-16(12-15)21(14-6-2-1-3-7-14)20(13-25-18)27-22(28)26-19-9-5-4-8-17(19)24/h1-13H,(H2,26,27,28)
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n/an/a 929n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038921
PNG
(3-(6-Chloro-4-phenyl-quinolin-3-yl)-1-(2,4-difluor...)
Show SMILES CN(C(=O)Nc1cnc2ccc(Cl)cc2c1-c1ccccc1)c1ccc(F)cc1F
Show InChI InChI=1S/C23H16ClF2N3O/c1-29(21-10-8-16(25)12-18(21)26)23(30)28-20-13-27-19-9-7-15(24)11-17(19)22(20)14-5-3-2-4-6-14/h2-13H,1H3,(H,28,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038903
PNG
(1-(6-Chloro-4-phenyl-quinolin-3-yl)-3-phenyl-urea ...)
Show SMILES Clc1ccc2ncc(NC(=O)Nc3ccccc3)c(-c3ccccc3)c2c1
Show InChI InChI=1S/C22H16ClN3O/c23-16-11-12-19-18(13-16)21(15-7-3-1-4-8-15)20(14-24-19)26-22(27)25-17-9-5-2-6-10-17/h1-14H,(H2,25,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50038924
PNG
(1-(4-Chloro-phenyl)-3-(6-chloro-4-phenyl-quinolin-...)
Show SMILES Clc1ccc(NC(=O)Nc2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C22H15Cl2N3O/c23-15-6-9-17(10-7-15)26-22(28)27-20-13-25-19-11-8-16(24)12-18(19)21(20)14-4-2-1-3-5-14/h1-13H,(H2,26,27,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in rat microsomes

J Med Chem 37: 2079-84 (1994)


BindingDB Entry DOI: 10.7270/Q23F4NPC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%