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Compile Data Set for Download or QSAR

Found 176 hits with Last Name = 'lee' and Initial = 'ht'   
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
Neuromedin-K receptor


(Homo sapiens (Human))		BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 |r|
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tachykinin receptor 3 binding affinity was determined by incubation with CHO cells expressing human NK3 receptors

Bioorg Med Chem Lett 7: 555-560 (1997)


Article DOI: 10.1016/S0960-894X(97)00064-4
BindingDB Entry DOI: 10.7270/Q2MK6CX0
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051461
PNG
(CHEMBL264861 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...)
Show SMILES CCCCCCCCCCCCn1nnc(CC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-32-30-25(29-31-32)20-26(33)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,33)
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051466
PNG
(CHEMBL175982 | N-(2,6-Diisopropyl-phenyl)-2-(5-dod...)
Show SMILES CCCCCCCCCCCCc1nnn(CC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C27H45N5O/c1-6-7-8-9-10-11-12-13-14-15-19-25-29-31-32(30-25)20-26(33)28-27-23(21(2)3)17-16-18-24(27)22(4)5/h16-18,21-22H,6-15,19-20H2,1-5H3,(H,28,33)
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n/an/a 6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM112498
PNG
(US8623883, No. 1)
Show SMILES FCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H26ClF2N5O2/c26-19-13-17(6-7-20(19)28)31-25-18-14-22(23(35-12-8-27)15-21(18)29-16-30-25)32-24(34)5-4-11-33-9-2-1-3-10-33/h4-7,13-16H,1-3,8-12H2,(H,32,34)(H,29,30,31)/b5-4+
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n/an/a 6.44n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 6.90n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50069883
PNG
((2,6-Diisopropyl-phenylcarbamoyl)-methanesulfonic ...)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CS(=O)(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H37NO4S/c1-16(2)20-11-9-12-21(17(3)4)25(20)27-24(28)15-32(29,30)31-26-22(18(5)6)13-10-14-23(26)19(7)8/h9-14,16-19H,15H2,1-8H3,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.

Bioorg Med Chem Lett 8: 289-94 (1999)


BindingDB Entry DOI: 10.7270/Q2DN446R
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50069886
PNG
((2,6-Diisopropyl-phenylcarbamoyl)-methanesulfonic ...)
Show SMILES CC(C)c1cc(C(C)C)c(OS(=O)(=O)CC(=O)Nc2c(cccc2C(C)C)C(C)C)c(c1)C(C)C
Show InChI InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)29(26(15-22)21(9)10)34-35(32,33)16-27(31)30-28-23(18(3)4)12-11-13-24(28)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.

Bioorg Med Chem Lett 8: 289-94 (1999)


BindingDB Entry DOI: 10.7270/Q2DN446R
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039427
PNG
(+/-(1-Methyl-Tridecyl)Thiocarbonyl-carbamic acid 2...)
Show SMILES CCCCCCCCCCCCC(C)SC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H47NO3S/c1-7-8-9-10-11-12-13-14-15-16-18-23(6)33-28(31)29-27(30)32-26-24(21(2)3)19-17-20-25(26)22(4)5/h17,19-23H,7-16,18H2,1-6H3,(H,29,30,31)
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n/an/a 8n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 8n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase 1 from rabbit intestine

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039428
PNG
(CHEMBL77339 | Tridecyloxycarbonyl-carbamic acid 2,...)
Show SMILES CCCCCCCCCCCCCOC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C27H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-20-31-26(29)28-27(30)32-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,28,29,30)
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n/an/a 9n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM112500
PNG
(US8623883, No. 6)
Show SMILES FC(F)COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C25H25ClF3N5O2/c26-18-11-16(6-7-19(18)27)32-25-17-12-21(22(36-14-23(28)29)13-20(17)30-15-31-25)33-24(35)5-4-10-34-8-2-1-3-9-34/h4-7,11-13,15,23H,1-3,8-10,14H2,(H,33,35)(H,30,31,32)/b5-4+
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n/an/a 9.87n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051456
PNG
(CHEMBL306344 | N-(2,6-Diisopropyl-phenyl)-2-(2-dod...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-38-36-32(35-37-38)30(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,30H,6-14,18,24H2,1-5H3,(H,34,39)
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039402
PNG
(CHEMBL80332 | Tetradecyloxycarbonyl-carbamic acid ...)
Show SMILES CCCCCCCCCCCCCCOC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-32-27(30)29-28(31)33-26-24(22(2)3)19-18-20-25(26)23(4)5/h18-20,22-23H,6-17,21H2,1-5H3,(H,29,30,31)
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM112501
PNG
(US8623883, No. 7)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+
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n/an/a 11.3n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM112504
PNG
(US8623883, No. 10)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1
Show InChI InChI=1S/C25H27ClFN5O2/c1-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-2-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+
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n/an/a 12.1n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051474
PNG
(CHEMBL78038 | N-(4,6-Dimethoxy-pyrimidin-5-yl)-2-(...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)ncnc1OC)c1ccccc1
Show InChI InChI=1S/C27H39N7O3/c1-4-5-6-7-8-9-10-11-12-16-19-34-32-24(31-33-34)22(21-17-14-13-15-18-21)25(35)30-23-26(36-2)28-20-29-27(23)37-3/h13-15,17-18,20,22H,4-12,16,19H2,1-3H3,(H,30,35)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051478
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(1,3,5-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(C)nn(C)c1C)c1ccccc1
Show InChI InChI=1S/C27H41N7O/c1-5-6-7-8-9-10-11-12-13-17-20-34-31-26(29-32-34)24(23-18-15-14-16-19-23)27(35)28-25-21(2)30-33(4)22(25)3/h14-16,18-19,24H,5-13,17,20H2,1-4H3,(H,28,35)
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051452
PNG
(CHEMBL80270 | N-(2,6-Diisopropyl-phenyl)-2-(5-dode...)
Show SMILES CCCCCCCCCCCCc1nnn(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C33H49N5O/c1-6-7-8-9-10-11-12-13-14-18-24-30-35-37-38(36-30)32(27-20-16-15-17-21-27)33(39)34-31-28(25(2)3)22-19-23-29(31)26(4)5/h15-17,19-23,25-26,32H,6-14,18,24H2,1-5H3,(H,34,39)
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n/an/a 15n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039451
PNG
(CHEMBL78577 | Thiocarbomic S-dodecyl-carbamic acid...)
Show SMILES CCCCCCCCCCCCSC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H43NO3S/c1-6-7-8-9-10-11-12-13-14-15-19-31-26(29)27-25(28)30-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))		BDBM112499
PNG
(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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n/an/a 16.7n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039450
PNG
(+/-(1-Methyl-Tridecyloxycarbonyl)-carbamic acid 2,...)
Show SMILES CCCCCCCCCCCCC(C)OC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H47NO4/c1-7-8-9-10-11-12-13-14-15-16-18-23(6)32-27(30)29-28(31)33-26-24(21(2)3)19-17-20-25(26)22(4)5/h17,19-23H,7-16,18H2,1-6H3,(H,29,30,31)
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n/an/a 17n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM112503
PNG
(US8623883, No. 9)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCC(F)CC1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-13-20-17(24(29-14-28-20)30-16-4-5-19(27)18(25)11-16)12-21(22)31-23(33)3-2-8-32-9-6-15(26)7-10-32/h2-5,11-15H,6-10H2,1H3,(H,31,33)(H,28,29,30)/b3-2+
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n/an/a 18.1n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039439
PNG
((2,2-Dimethyl-dodecyloxycarbonyl)-carbamic acid 2,...)
Show SMILES CCCCCCCCCCC(C)(C)COC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H47NO4/c1-8-9-10-11-12-13-14-15-19-28(6,7)20-32-26(30)29-27(31)33-25-23(21(2)3)17-16-18-24(25)22(4)5/h16-18,21-22H,8-15,19-20H2,1-7H3,(H,29,30,31)
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50069893
PNG
((2,6-Diisopropyl-phenylsulfamoyl)-acetic acid 1-me...)
Show SMILES CCCCCCCCCCCCC(C)OC(=O)CS(=O)(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H49NO4S/c1-7-8-9-10-11-12-13-14-15-16-18-24(6)33-27(30)21-34(31,32)29-28-25(22(2)3)19-17-20-26(28)23(4)5/h17,19-20,22-24,29H,7-16,18,21H2,1-6H3
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.

Bioorg Med Chem Lett 8: 289-94 (1999)


BindingDB Entry DOI: 10.7270/Q2DN446R
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039423
PNG
(CHEMBL80841 | Dodecyloxycarbonyl-carbamic acid 2,6...)
Show SMILES CCCCCCCCCCCCOC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H43NO4/c1-6-7-8-9-10-11-12-13-14-15-19-30-25(28)27-26(29)31-24-22(20(2)3)17-16-18-23(24)21(4)5/h16-18,20-21H,6-15,19H2,1-5H3,(H,27,28,29)
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039419
PNG
((1,1-Dimethyl-Tridecyloxycarbonyll)-carbamic acid ...)
Show SMILES CCCCCCCCCCCCC(C)(C)OC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C29H49NO4/c1-8-9-10-11-12-13-14-15-16-17-21-29(6,7)34-28(32)30-27(31)33-26-24(22(2)3)19-18-20-25(26)23(4)5/h18-20,22-23H,8-17,21H2,1-7H3,(H,30,31,32)
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051454
PNG
(2-(5-Dodecyl-tetrazol-2-yl)-2-phenyl-N-(2,4,6-trim...)
Show SMILES CCCCCCCCCCCCc1nnn(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-27-32-34-35(33-27)29(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,29H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 21n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acyl coenzyme A:cholesterol acyltransferase 1 from rat liver

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051460
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6-t...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C30H43N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h14-16,18-19,21-22,27H,5-13,17,20H2,1-4H3,(H,31,36)
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n/an/a 23n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051445
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCn1nnc(CC(=O)Nc2c(OC)cc(OC)cc2OC)n1
Show InChI InChI=1S/C24H39N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-29-27-22(26-28-29)18-23(30)25-24-20(32-3)16-19(31-2)17-21(24)33-4/h16-17H,5-15,18H2,1-4H3,(H,25,30)
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n/an/a 24n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051469
PNG
(2-(2-Dodec-11-enyl-2H-tetrazol-5-yl)-2-phenyl-N-(2...)
Show SMILES COc1cc(OC)c(NC(=O)C(c2nnn(CCCCCCCCCCC=C)n2)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C30H41N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h5,14-16,18-19,21-22,27H,1,6-13,17,20H2,2-4H3,(H,31,36)
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051465
PNG
(CHEMBL78106 | N-(2,6-Diisopropyl-phenyl)-2-(2-dode...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccn1
Show InChI InChI=1S/C32H48N6O/c1-6-7-8-9-10-11-12-13-14-17-23-38-36-31(35-37-38)29(28-21-15-16-22-33-28)32(39)34-30-26(24(2)3)19-18-20-27(30)25(4)5/h15-16,18-22,24-25,29H,6-14,17,23H2,1-5H3,(H,34,39)
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n/an/a 26n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051458
PNG
(2-Cyclohexyl-2-(2-dodecyl-2H-tetrazol-5-yl)-N-(2,4...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C1CCCCC1)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C30H49N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-35-33-29(32-34-35)27(23-18-15-14-16-19-23)30(36)31-28-25(38-3)21-24(37-2)22-26(28)39-4/h21-23,27H,5-20H2,1-4H3,(H,31,36)
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051459
PNG
(CHEMBL77319 | N-(2,6-Diisopropyl-phenyl)-3-(2-dode...)
Show SMILES CCCCCCCCCCCCn1nnc(CCC(=O)Nc2c(cccc2C(C)C)C(C)C)n1
Show InChI InChI=1S/C28H47N5O/c1-6-7-8-9-10-11-12-13-14-15-21-33-31-26(30-32-33)19-20-27(34)29-28-24(22(2)3)17-16-18-25(28)23(4)5/h16-18,22-23H,6-15,19-21H2,1-5H3,(H,29,34)
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n/an/a 30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051453
PNG
(CHEMBL78270 | N-(2,4-Difluoro-phenyl)-2-(2-dodecyl...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1ccc(F)cc1F)c1ccccc1
Show InChI InChI=1S/C27H35F2N5O/c1-2-3-4-5-6-7-8-9-10-14-19-34-32-26(31-33-34)25(21-15-12-11-13-16-21)27(35)30-24-18-17-22(28)20-23(24)29/h11-13,15-18,20,25H,2-10,14,19H2,1H3,(H,30,35)
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n/an/a 31n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051455
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C25H41N5O4/c1-6-7-8-9-10-11-12-13-14-15-16-30-28-24(27-29-30)19(2)25(31)26-23-21(33-4)17-20(32-3)18-22(23)34-5/h17-19H,6-16H2,1-5H3,(H,26,31)
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n/an/a 31n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051476
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(2,4,6-trimethoxy...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C26H43N5O4/c1-7-8-9-10-11-12-13-14-15-16-17-31-29-24(28-30-31)26(2,3)25(32)27-23-21(34-5)18-20(33-4)19-22(23)35-6/h18-19H,7-17H2,1-6H3,(H,27,32)
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n/an/a 33n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051468
PNG
(2-(2-Dodecyl-2H-tetrazol-5-yl)-2-(4-fluoro-phenyl)...)
Show SMILES CCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccc(F)cc1
Show InChI InChI=1S/C30H42FN5O4/c1-5-6-7-8-9-10-11-12-13-14-19-36-34-29(33-35-36)27(22-15-17-23(31)18-16-22)30(37)32-28-25(39-3)20-24(38-2)21-26(28)40-4/h15-18,20-21,27H,5-14,19H2,1-4H3,(H,32,37)
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50069890
PNG
((2,6-Diisopropyl-phenylsulfamoyl)-thioacetic acid ...)
Show SMILES CCCCCCCCCCCCCCSC(=O)CS(=O)(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H49NO3S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-33-27(30)22-34(31,32)29-28-25(23(2)3)19-18-20-26(28)24(4)5/h18-20,23-24,29H,6-17,21-22H2,1-5H3
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.

Bioorg Med Chem Lett 8: 289-94 (1999)


BindingDB Entry DOI: 10.7270/Q2DN446R
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))		BDBM112504
PNG
(US8623883, No. 10)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCCC1
Show InChI InChI=1S/C25H27ClFN5O2/c1-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-2-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+
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n/an/a 41.3n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM112502
PNG
(US8623883, No. 8)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCC(F)C1
Show InChI InChI=1S/C24H24ClF2N5O2/c1-34-22-12-20-17(24(29-14-28-20)30-16-6-7-19(27)18(25)10-16)11-21(22)31-23(33)5-3-9-32-8-2-4-15(26)13-32/h3,5-7,10-12,14-15H,2,4,8-9,13H2,1H3,(H,31,33)(H,28,29,30)/b5-3+
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n/an/a 45.3n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039401
PNG
(CHEMBL309744 | [[[2,6-Bis(1-methylethyl)phenyl]-am...)
Show SMILES CCCCCCCCCCCCC(C)OC(=O)NC(=O)Nc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C28H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-18-23(6)33-28(32)30-27(31)29-26-24(21(2)3)19-17-20-25(26)22(4)5/h17,19-23H,7-16,18H2,1-6H3,(H2,29,30,31,32)
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n/an/a 46n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039407
PNG
(+/-(1-Methyl-Undecyloxycarbonyl)-carbamic acid 2,6...)
Show SMILES CCCCCCCCCCC(C)OC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C26H43NO4/c1-7-8-9-10-11-12-13-14-16-21(6)30-25(28)27-26(29)31-24-22(19(2)3)17-15-18-23(24)20(4)5/h15,17-21H,7-14,16H2,1-6H3,(H,27,28,29)
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n/an/a 49n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039415
PNG
(CHEMBL76835 | Hexadecyloxycarbonyl-carbamic acid 2...)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H51NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-29(32)31-30(33)35-28-26(24(2)3)21-20-22-27(28)25(4)5/h20-22,24-25H,6-19,23H2,1-5H3,(H,31,32,33)
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n/an/a 50n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039411
PNG
(CHEMBL79163 | hexyloxycarbonyl-carbamic acid 2,6-d...)
Show SMILES CCCCCCOC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C20H31NO4/c1-6-7-8-9-13-24-19(22)21-20(23)25-18-16(14(2)3)11-10-12-17(18)15(4)5/h10-12,14-15H,6-9,13H2,1-5H3,(H,21,22,23)
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n/an/a 53n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051470
PNG
(2-(2-Hexadecyl-2H-tetrazol-5-yl)-2-phenyl-N-(2,4,6...)
Show SMILES CCCCCCCCCCCCCCCCn1nnc(n1)C(C(=O)Nc1c(OC)cc(OC)cc1OC)c1ccccc1
Show InChI InChI=1S/C34H51N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-39-37-33(36-38-39)31(27-22-19-18-20-23-27)34(40)35-32-29(42-3)25-28(41-2)26-30(32)43-4/h18-20,22-23,25-26,31H,5-17,21,24H2,1-4H3,(H,35,40)
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n/an/a 53n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051462
PNG
(2-Phenyl-N-(2,4,6-trimethoxy-phenyl)-2-(2-undec-10...)
Show SMILES COc1cc(OC)c(NC(=O)C(c2nnn(CCCCCCCCCC=C)n2)c2ccccc2)c(OC)c1
Show InChI InChI=1S/C29H39N5O4/c1-5-6-7-8-9-10-11-12-16-19-34-32-28(31-33-34)26(22-17-14-13-15-18-22)29(35)30-27-24(37-3)20-23(36-2)21-25(27)38-4/h5,13-15,17-18,20-21,26H,1,6-12,16,19H2,2-4H3,(H,30,35)
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n/an/a 54n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)		BDBM50051440
PNG
(2-(5-Dodecyl-tetrazol-2-yl)-N-(2,4,6-trimethoxy-ph...)
Show SMILES CCCCCCCCCCCCc1nnn(CC(=O)Nc2c(OC)cc(OC)cc2OC)n1
Show InChI InChI=1S/C24H39N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-22-26-28-29(27-22)18-23(30)25-24-20(32-3)16-19(31-2)17-21(24)33-4/h16-17H,5-15,18H2,1-4H3,(H,25,30)
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n/an/a 56n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 of liver microsomes isolated from cholesterol-fed rats.

J Med Chem 39: 2354-66 (1996)


Article DOI: 10.1021/jm960170f
BindingDB Entry DOI: 10.7270/Q2W66JVV
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50039424
PNG
(+/-(1-Methyl-pentadecyloxycarbonyl)-carbamic acid ...)
Show SMILES CCCCCCCCCCCCCCC(C)OC(=O)NC(=O)Oc1c(cccc1C(C)C)C(C)C
Show InChI InChI=1S/C30H51NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-20-25(6)34-29(32)31-30(33)35-28-26(23(2)3)21-19-22-27(28)24(4)5/h19,21-25H,7-18,20H2,1-6H3,(H,31,32,33)
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n/an/a 58n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro Acyl coenzyme A:cholesterol acyltransferase inhibitory activity (IAI) was determined by measuring the incorporation of [1-14C]oleolyl-CoA in...

J Med Chem 37: 2394-400 (1994)


BindingDB Entry DOI: 10.7270/Q2XK8G5X
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))		BDBM112501
PNG
(US8623883, No. 7)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)\C=C\CN4CCCCC4)cc23)cc1Cl
Show InChI InChI=1S/C30H36ClFN6O3/c31-24-18-22(7-8-25(24)32)35-30-23-19-27(36-29(39)6-4-11-37-9-2-1-3-10-37)28(20-26(23)33-21-34-30)41-15-5-12-38-13-16-40-17-14-38/h4,6-8,18-21H,1-3,5,9-17H2,(H,36,39)(H,33,34,35)/b6-4+
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n/an/a 61.5n/an/an/an/a7.425



Warner-Lambert Company LLC

US Patent


Assay Description
Inhibition of erbB tyrosine kinase activity was assessed using an ELISA-based receptor tyrosine kinase assay. Kinase reactions (50 mM HEPES, pH 7.4, ...

US Patent US8623883 (2014)


BindingDB Entry DOI: 10.7270/Q29885P7
More data for this
Ligand-Target Pair
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