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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'largis' and Initial = 'ee'   
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
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 5.30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 microM)


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227933
PNG
(CHEMBL77761)
Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1cc(C)c(C)cc1C
Show InChI InChI=1S/C22H32N2O2/c1-5-6-7-8-9-12-24(16-20-11-10-13-26-20)22(25)23-21-15-18(3)17(2)14-19(21)4/h10-11,13-15H,5-9,12,16H2,1-4H3,(H,23,25)
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n/an/a 140n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Muscarinic acetylcholine receptor derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of smooth muscle cell ACAT activity for cells stimulated by cationized LDL.


J Med Chem 29: 1131-3 (1987)


BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227908
PNG
(CHEMBL77988)
Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C19H23Cl3N2O2/c1-2-3-4-5-6-9-24(13-15-8-7-10-26-15)19(25)23-18-16(21)11-14(20)12-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)
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n/an/a 311n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227935
PNG
(CHEMBL75708)
Show SMILES CCCCCCN(CCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C21H36N2O/c1-5-7-9-11-15-23(16-12-10-8-6-2)21(24)22-20-14-13-18(3)17-19(20)4/h13-14,17H,5-12,15-16H2,1-4H3,(H,22,24)
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n/an/a 330n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227908
PNG
(CHEMBL77988)
Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C19H23Cl3N2O2/c1-2-3-4-5-6-9-24(13-15-8-7-10-26-15)19(25)23-18-16(21)11-14(20)12-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)
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n/an/a 406n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227910
PNG
(CHEMBL305937)
Show SMILES Cc1ccc(NC(=O)N(CCCCC2CCCCC2)CCCCC2CCCCC2)c(C)c1
Show InChI InChI=1S/C29H48N2O/c1-24-19-20-28(25(2)23-24)30-29(32)31(21-11-9-17-26-13-5-3-6-14-26)22-12-10-18-27-15-7-4-8-16-27/h19-20,23,26-27H,3-18,21-22H2,1-2H3,(H,30,32)
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n/an/a 431n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227918
PNG
(CHEMBL75224)
Show SMILES Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C
Show InChI InChI=1S/C24H26N2O/c1-18-14-20(3)23(15-19(18)2)25-24(27)26(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-15H,16-17H2,1-3H3,(H,25,27)
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n/an/a 446n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227912
PNG
(CHEMBL75204)
Show SMILES CCCCCCCN(Cc1cccs1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C19H23Cl3N2OS/c1-2-3-4-5-6-9-24(13-14-8-7-10-26-14)19(25)23-18-12-16(21)15(20)11-17(18)22/h7-8,10-12H,2-6,9,13H2,1H3,(H,23,25)
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n/an/a 484n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227931
PNG
(CHEMBL76938)
Show SMILES CCCCCCCCCCN(CCCCCCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C29H52N2O/c1-5-7-9-11-13-15-17-19-23-31(24-20-18-16-14-12-10-8-6-2)29(32)30-28-22-21-26(3)25-27(28)4/h21-22,25H,5-20,23-24H2,1-4H3,(H,30,32)
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n/an/a 629n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227921
PNG
(CHEMBL75709)
Show SMILES CCCCCCCN(CCCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C23H40N2O/c1-5-7-9-11-13-17-25(18-14-12-10-8-6-2)23(26)24-22-16-15-20(3)19-21(22)4/h15-16,19H,5-14,17-18H2,1-4H3,(H,24,26)
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n/an/a 721n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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n/an/a 740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in Liver microsomes


J Med Chem 29: 1131-3 (1987)


BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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n/an/a 810n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in intestinal microsomes


J Med Chem 29: 1131-3 (1987)


BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227943
PNG
(CHEMBL76935)
Show SMILES CCCCCN(CCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C19H32N2O/c1-5-7-9-13-21(14-10-8-6-2)19(22)20-18-12-11-16(3)15-17(18)4/h11-12,15H,5-10,13-14H2,1-4H3,(H,20,22)
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n/an/a 952n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ACAT derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227909
PNG
(CHEMBL307505)
Show SMILES CC(C)(C)CCN(Cc1cccs1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H21Cl3N2OS/c1-18(2,3)6-7-23(11-13-5-4-8-25-13)17(24)22-16-14(20)9-12(19)10-15(16)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,24)
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n/an/a 976n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards beta-2 adrenergic receptor in rat soleus membrane by displacing(-)-isoproterenol (50 microM)


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227918
PNG
(CHEMBL75224)
Show SMILES Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C
Show InChI InChI=1S/C24H26N2O/c1-18-14-20(3)23(15-19(18)2)25-24(27)26(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-15H,16-17H2,1-3H3,(H,25,27)
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n/an/a 1.08E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ACAT derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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n/an/a 1.09E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the effect on Cholesterol O-Acyltransferase (ACAT) in Aorta (homogenate Low-density lipoproteins (LDL)


J Med Chem 29: 1131-3 (1987)


BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 microM)


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227936
PNG
(CHEMBL73918)
Show SMILES CCCCCCCCN(CCCCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C25H44N2O/c1-5-7-9-11-13-15-19-27(20-16-14-12-10-8-6-2)25(28)26-24-18-17-22(3)21-23(24)4/h17-18,21H,5-16,19-20H2,1-4H3,(H,26,28)
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n/an/a 1.31E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227936
PNG
(CHEMBL73918)
Show SMILES CCCCCCCCN(CCCCCCCC)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C25H44N2O/c1-5-7-9-11-13-15-19-27(20-16-14-12-10-8-6-2)25(28)26-24-18-17-22(3)21-23(24)4/h17-18,21H,5-16,19-20H2,1-4H3,(H,26,28)
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n/an/a 1.41E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227907
PNG
(CHEMBL441803)
Show SMILES CCCCCCCN(Cc1cccs1)C(=O)Nc1cc(C)c(C)cc1C
Show InChI InChI=1S/C22H32N2OS/c1-5-6-7-8-9-12-24(16-20-11-10-13-26-20)22(25)23-21-15-18(3)17(2)14-19(21)4/h10-11,13-15H,5-9,12,16H2,1-4H3,(H,23,25)
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n/an/a 1.44E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ACAT derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227902
PNG
(CHEMBL76706)
Show SMILES Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1
Show InChI InChI=1S/C23H24N2O/c1-18-13-14-22(19(2)15-18)24-23(26)25(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,24,26)
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n/an/a 1.71E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227915
PNG
(CHEMBL421876)
Show SMILES CCCCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C20H26N2O/c1-4-5-13-22(15-18-9-7-6-8-10-18)20(23)21-19-12-11-16(2)14-17(19)3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
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n/an/a 1.83E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227933
PNG
(CHEMBL77761)
Show SMILES CCCCCCCN(Cc1ccco1)C(=O)Nc1cc(C)c(C)cc1C
Show InChI InChI=1S/C22H32N2O2/c1-5-6-7-8-9-12-24(16-20-11-10-13-26-20)22(25)23-21-15-18(3)17(2)14-19(21)4/h10-11,13-15H,5-9,12,16H2,1-4H3,(H,23,25)
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n/an/a 2.24E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Muscarinic acetylcholine receptor derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227909
PNG
(CHEMBL307505)
Show SMILES CC(C)(C)CCN(Cc1cccs1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H21Cl3N2OS/c1-18(2,3)6-7-23(11-13-5-4-8-25-13)17(24)22-16-14(20)9-12(19)10-15(16)21/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,24)
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n/an/a 2.62E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227932
PNG
(CHEMBL77164)
Show SMILES FC(F)(F)c1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
Show InChI InChI=1S/C22H19F3N2O/c23-22(24,25)19-12-7-13-20(14-19)26-21(28)27(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,26,28)
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n/an/a 2.86E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227937
PNG
(CHEMBL76258)
Show SMILES Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C22H21ClN2O/c1-17-12-13-20(14-21(17)23)24-22(26)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)
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n/an/a 3.01E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227948
PNG
(CHEMBL75596)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C27H24N2O2/c30-27(28-24-16-18-26(19-17-24)31-25-14-8-3-9-15-25)29(20-22-10-4-1-5-11-22)21-23-12-6-2-7-13-23/h1-19H,20-21H2,(H,28,30)
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n/an/a 3.18E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227944
PNG
(CHEMBL77942)
Show SMILES Cc1cc(Cl)ccc1NC(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C22H21ClN2O/c1-17-14-20(23)12-13-21(17)24-22(26)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,24,26)
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n/an/a 3.28E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227929
PNG
(CHEMBL419639)
Show SMILES CCCCN(CCCC)C(=O)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C17H28N2O/c1-5-7-9-19(10-8-6-2)17(20)18-16-12-14(3)11-15(4)13-16/h11-13H,5-10H2,1-4H3,(H,18,20)
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n/an/a 3.54E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227934
PNG
(CHEMBL75371)
Show SMILES Cc1cc(C)c(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1
Show InChI InChI=1S/C24H26N2O/c1-18-14-19(2)23(20(3)15-18)25-24(27)26(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22/h4-15H,16-17H2,1-3H3,(H,25,27)
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n/an/a 3.62E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227906
PNG
(CHEMBL74091)
Show SMILES CCCCN(Cc1ccccc1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C18H19Cl3N2O/c1-2-3-9-23(12-13-7-5-4-6-8-13)18(24)22-17-15(20)10-14(19)11-16(17)21/h4-8,10-11H,2-3,9,12H2,1H3,(H,22,24)
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n/an/a 3.62E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227902
PNG
(CHEMBL76706)
Show SMILES Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1
Show InChI InChI=1S/C23H24N2O/c1-18-13-14-22(19(2)15-18)24-23(26)25(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15H,16-17H2,1-2H3,(H,24,26)
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n/an/a 3.77E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227917
PNG
(CHEMBL77694)
Show SMILES Clc1cc(Cl)cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
Show InChI InChI=1S/C21H18Cl2N2O/c22-18-11-19(23)13-20(12-18)24-21(26)25(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,24,26)
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n/an/a 3.89E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227925
PNG
(CHEMBL75331)
Show SMILES CCCCN(CCCC)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C16H25ClN2O/c1-4-6-11-19(12-7-5-2)16(20)18-15-10-8-9-14(17)13(15)3/h8-10H,4-7,11-12H2,1-3H3,(H,18,20)
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n/an/a 4.04E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227927
PNG
(CHEMBL442178)
Show SMILES CCCCN(CCCC)C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H22Cl2N2O/c1-3-5-7-19(8-6-4-2)15(20)18-14-10-12(16)9-13(17)11-14/h9-11H,3-8H2,1-2H3,(H,18,20)
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n/an/a 4.41E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50227910
PNG
(CHEMBL305937)
Show SMILES Cc1ccc(NC(=O)N(CCCCC2CCCCC2)CCCCC2CCCCC2)c(C)c1
Show InChI InChI=1S/C29H48N2O/c1-24-19-20-28(25(2)23-24)30-29(32)31(21-11-9-17-26-13-5-3-6-14-26)22-12-10-18-27-15-7-4-8-16-27/h19-20,23,26-27H,3-18,21-22H2,1-2H3,(H,30,32)
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n/an/a 4.53E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase derived from smooth muscle cells from thoracic aorta of monkeys


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227923
PNG
(CHEMBL305913)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C19H32N2O/c1-14(2)9-11-21(12-10-15(3)4)19(22)20-18-8-7-16(5)13-17(18)6/h7-8,13-15H,9-12H2,1-6H3,(H,20,22)
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n/an/a 4.59E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227915
PNG
(CHEMBL421876)
Show SMILES CCCCN(Cc1ccccc1)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C20H26N2O/c1-4-5-13-22(15-18-9-7-6-8-10-18)20(23)21-19-12-11-16(2)14-17(19)3/h6-12,14H,4-5,13,15H2,1-3H3,(H,21,23)
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n/an/a 4.83E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227924
PNG
(CHEMBL307709)
Show SMILES CCCCN(CCCC)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C16H26N2O/c1-4-6-11-18(12-7-5-2)16(19)17-15-10-8-9-14(3)13-15/h8-10,13H,4-7,11-12H2,1-3H3,(H,17,19)
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n/an/a 4.95E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227928
PNG
(CHEMBL75354)
Show SMILES CCCCN(Cc1ccc2OCOc2c1)C(=O)Nc1ccc(C)cc1C
Show InChI InChI=1S/C21H26N2O3/c1-4-5-10-23(13-17-7-9-19-20(12-17)26-14-25-19)21(24)22-18-8-6-15(2)11-16(18)3/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,22,24)
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n/an/a 5.64E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50227930
PNG
(CHEMBL77943)
Show SMILES Brc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
Show InChI InChI=1S/C21H19BrN2O/c22-19-12-7-13-20(14-19)23-21(25)24(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,23,25)
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n/an/a 5.81E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against acyl coenzyme A:cholesterol acyltransferase derived from rat adrenals


J Med Chem 32: 2318-25 (1989)


BindingDB Entry DOI: 10.7270/Q2QZ2D5R
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50022279
PNG
(3-(2,4-Difluoro-phenyl)-1-[4-(2,2-dimethyl-propyl)...)
Show SMILES CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H36F2N2O/c1-5-6-7-8-9-16-30(25(31)29-24-15-14-22(27)17-23(24)28)19-21-12-10-20(11-13-21)18-26(2,3)4/h10-15,17H,5-9,16,18-19H2,1-4H3,(H,29,31)
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n/an/a 6.06E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of smooth muscle cell ACAT activity for cells stimulated by native LDL.


J Med Chem 29: 1131-3 (1987)


BindingDB Entry DOI: 10.7270/Q2V69HKP
More data for this
Ligand-Target Pair
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