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Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'kasai' and Initial = 'm'   
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
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor, by competition with [3H]estradiol

J Med Chem 39: 3461-9 (1996)


Article DOI: 10.1021/jm950938g
BindingDB Entry DOI: 10.7270/Q2ZP48V7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033123
PNG
(CHEMBL3356618)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(C)n1
Show InChI InChI=1S/C25H36N6/c1-20-23-10-15-31(14-5-13-29-11-3-4-12-29)25(23)27-24(26-20)21-6-8-22(9-7-21)30-18-16-28(2)17-19-30/h6-9H,3-5,10-19H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033119
PNG
(CHEMBL3357062)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCCC3)c2n1
Show InChI InChI=1S/C24H34N6/c1-27-15-17-29(18-16-27)22-7-5-20(6-8-22)23-25-19-21-9-14-30(24(21)26-23)13-4-12-28-10-2-3-11-28/h5-8,19H,2-4,9-18H2,1H3
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n/an/a 3.90n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033101
PNG
(CHEMBL2144205)
Show SMILES COc1cc2nc(nc(NCCN3CCOCC3)c2cc1OC)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H36N6O3/c1-31-10-12-33(13-11-31)21-6-4-20(5-7-21)26-29-23-19-25(35-3)24(34-2)18-22(23)27(30-26)28-8-9-32-14-16-36-17-15-32/h4-7,18-19H,8-17H2,1-3H3,(H,28,29,30)
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n/an/a 4.60n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033108
PNG
(CHEMBL3357064)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-5-3-20(4-6-22)23-25-19-21-7-10-30(24(21)26-23)9-2-8-28-15-17-31-18-16-28/h3-6,19H,2,7-18H2,1H3
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n/an/a 8.60n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033107
PNG
(CHEMBL3357065)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCCN3CCOCC3)c2n1
Show InChI InChI=1S/C25H36N6O/c1-28-12-14-30(15-13-28)23-6-4-21(5-7-23)24-26-20-22-8-11-31(25(22)27-24)10-3-2-9-29-16-18-32-19-17-29/h4-7,20H,2-3,8-19H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033124
PNG
(CHEMBL3356617)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCN3CCCC3)CCc2c(C)n1
Show InChI InChI=1S/C24H34N6/c1-19-22-9-12-30(18-15-28-10-3-4-11-28)24(22)26-23(25-19)20-5-7-21(8-6-20)29-16-13-27(2)14-17-29/h5-8H,3-4,9-18H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033102
PNG
(CHEMBL3357070)
Show SMILES OCCN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C25H36N6O2/c32-17-14-29-10-12-30(13-11-29)23-4-2-21(3-5-23)24-26-20-22-6-9-31(25(22)27-24)8-1-7-28-15-18-33-19-16-28/h2-5,20,32H,1,6-19H2
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n/an/a 13n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50296994
PNG
(CHEMBL561939 | N-(5-Methanesulfonylamino-4,6-dimet...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C24H41N3O3S/c1-8-9-10-11-12-13-15-27-16-14-19-17(2)20(26-31(7,29)30)18(3)21(22(19)27)25-23(28)24(4,5)6/h26H,8-16H2,1-7H3,(H,25,28)
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n/an/a 13n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033126
PNG
(CHEMBL3356616)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCOCC3)CCc2c(C)n1
Show InChI InChI=1S/C25H36N6O/c1-20-23-8-11-31(10-3-9-29-16-18-32-19-17-29)25(23)27-24(26-20)21-4-6-22(7-5-21)30-14-12-28(2)13-15-30/h4-7H,3,8-19H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033132
PNG
(CHEMBL3356615)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCN3CCOCC3)CCc2c(C)n1
Show InChI InChI=1S/C24H34N6O/c1-19-22-7-8-30(14-11-28-15-17-31-18-16-28)24(22)26-23(25-19)20-3-5-21(6-4-20)29-12-9-27(2)10-13-29/h3-6H,7-18H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50263150
PNG
(CHEMBL513892 | N-(4,6-dimethyl-1-octylindolin-7-yl...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C23H38N2O/c1-7-8-9-10-11-12-14-25-15-13-19-17(2)16-18(3)20(21(19)25)24-22(26)23(4,5)6/h16H,7-15H2,1-6H3,(H,24,26)
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n/an/a 24n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033140
PNG
(CHEMBL3356611)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2CCCCc2c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C25H36N6O/c1-29-12-14-31(15-13-29)21-8-6-20(7-9-21)24-27-23-5-3-2-4-22(23)25(28-24)26-10-11-30-16-18-32-19-17-30/h6-9H,2-5,10-19H2,1H3,(H,26,27,28)
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n/an/a 27n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297009
PNG
(CHEMBL550526 | N-(1-decyl-4,6-dimethylindolin-7-yl...)
Show SMILES CCCCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C25H42N2O/c1-7-8-9-10-11-12-13-14-16-27-17-15-21-19(2)18-20(3)22(23(21)27)26-24(28)25(4,5)6/h18H,7-17H2,1-6H3,(H,26,28)
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n/an/a 27n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033103
PNG
(CHEMBL3357069)
Show SMILES COCCN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C26H38N6O2/c1-33-18-15-30-11-13-31(14-12-30)24-5-3-22(4-6-24)25-27-21-23-7-10-32(26(23)28-25)9-2-8-29-16-19-34-20-17-29/h3-6,21H,2,7-20H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297008
PNG
(CHEMBL558454 | N-(1-heptyl-4,6-dimethylindolin-7-y...)
Show SMILES CCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C22H36N2O/c1-7-8-9-10-11-13-24-14-12-18-16(2)15-17(3)19(20(18)24)23-21(25)22(4,5)6/h15H,7-14H2,1-6H3,(H,23,25)
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n/an/a 30n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033135
PNG
(CHEMBL3356614)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc(C)c(C)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C23H34N6O/c1-18-19(2)25-23(26-22(18)24-8-9-28-14-16-30-17-15-28)20-4-6-21(7-5-20)29-12-10-27(3)11-13-29/h4-7H,8-17H2,1-3H3,(H,24,25,26)
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n/an/a 35n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297017
PNG
(CHEMBL555564 | N-[1-(Cyclobutylmethyl)-5-methanesu...)
Show SMILES Cc1c2CCN(CC3CCC3)c2c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O
Show InChI InChI=1S/C21H33N3O3S/c1-13-16-10-11-24(12-15-8-7-9-15)19(16)18(22-20(25)21(3,4)5)14(2)17(13)23-28(6,26)27/h15,23H,7-12H2,1-6H3,(H,22,25)
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n/an/a 36n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297014
PNG
(CHEMBL559117 | N-[5-Methanesulfonylamino-4,6-dimet...)
Show SMILES CC(C)CCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C21H35N3O3S/c1-13(2)9-11-24-12-10-16-14(3)17(23-28(8,26)27)15(4)18(19(16)24)22-20(25)21(5,6)7/h13,23H,9-12H2,1-8H3,(H,22,25)
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n/an/a 40n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50296993
PNG
(CHEMBL557522 | N-(1-Hexyl-5-methanesulfonylamino-4...)
Show SMILES CCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C22H37N3O3S/c1-8-9-10-11-13-25-14-12-17-15(2)18(24-29(7,27)28)16(3)19(20(17)25)23-21(26)22(4,5)6/h24H,8-14H2,1-7H3,(H,23,26)
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n/an/a 42n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50296992
PNG
(CHEMBL559879 | N-(5-Methanesulfonylamino-4,6-dimet...)
Show SMILES CCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C21H35N3O3S/c1-8-9-10-12-24-13-11-16-14(2)17(23-28(7,26)27)15(3)18(19(16)24)22-20(25)21(4,5)6/h23H,8-13H2,1-7H3,(H,22,25)
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n/an/a 49n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297022
PNG
(CHEMBL564138 | N-(1-Butyl-5-methanesulfonylamino-4...)
Show SMILES CCCCN1CCc2c1c(NC(=O)C(C)(C)CC)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C21H35N3O3S/c1-8-10-12-24-13-11-16-14(3)17(23-28(7,26)27)15(4)18(19(16)24)22-20(25)21(5,6)9-2/h23H,8-13H2,1-7H3,(H,22,25)
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n/an/a 53n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033105
PNG
(CHEMBL3357067)
Show SMILES CN1CCN(CC1)c1ccccc1-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-6-3-2-5-21(22)23-25-19-20-7-10-30(24(20)26-23)9-4-8-28-15-17-31-18-16-28/h2-3,5-6,19H,4,7-18H2,1H3
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n/an/a 56n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033106
PNG
(CHEMBL3357066)
Show SMILES CN1CCN(CC1)c1cccc(c1)-c1ncc2CCN(CCCN3CCOCC3)c2n1
Show InChI InChI=1S/C24H34N6O/c1-27-10-12-29(13-11-27)22-5-2-4-20(18-22)23-25-19-21-6-9-30(24(21)26-23)8-3-7-28-14-16-31-17-15-28/h2,4-5,18-19H,3,6-17H2,1H3
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n/an/a 56n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297010
PNG
(CHEMBL561477 | N-(1-dodecyl-4,6-dimethylindolin-7-...)
Show SMILES CCCCCCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C27H46N2O/c1-7-8-9-10-11-12-13-14-15-16-18-29-19-17-23-21(2)20-22(3)24(25(23)29)28-26(30)27(4,5)6/h20H,7-19H2,1-6H3,(H,28,30)
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n/an/a 58n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297013
PNG
(CHEMBL554505 | N-[1-(2,2-Dimethylpropyl)-5-methane...)
Show SMILES Cc1c2CCN(CC(C)(C)C)c2c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O
Show InChI InChI=1S/C21H35N3O3S/c1-13-15-10-11-24(12-20(3,4)5)18(15)17(22-19(25)21(6,7)8)14(2)16(13)23-28(9,26)27/h23H,10-12H2,1-9H3,(H,22,25)
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n/an/a 61n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297007
PNG
(CHEMBL561074 | N-(1-hexyl-4,6-dimethylindolin-7-yl...)
Show SMILES CCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C21H34N2O/c1-7-8-9-10-12-23-13-11-17-15(2)14-16(3)18(19(17)23)22-20(24)21(4,5)6/h14H,7-13H2,1-6H3,(H,22,24)
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n/an/a 67n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297015
PNG
(CHEMBL559318 | N-[5-Methanesulfonylamino-4,6-dimet...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-c2c-1c(-[#7]-[#6](=O)C([#6])([#6])[#6])c(-[#6])c(-[#7]S([#6])(=O)=O)c2-[#6]
Show InChI InChI=1S/C21H33N3O3S/c1-13(2)9-11-24-12-10-16-14(3)17(23-28(8,26)27)15(4)18(19(16)24)22-20(25)21(5,6)7/h9,23H,10-12H2,1-8H3,(H,22,25)
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n/an/a 68n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50296991
PNG
(CHEMBL551271 | N-(1-Butyl-5-methanesulfonylamino-4...)
Show SMILES CCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C20H33N3O3S/c1-8-9-11-23-12-10-15-13(2)16(22-27(7,25)26)14(3)17(18(15)23)21-19(24)20(4,5)6/h22H,8-12H2,1-7H3,(H,21,24)
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n/an/a 69n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297012
PNG
(CHEMBL549649 | N-[5-Methanesulfonylamino-4,6-dimet...)
Show SMILES CC(C)CN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C20H33N3O3S/c1-12(2)11-23-10-9-15-13(3)16(22-27(8,25)26)14(4)17(18(15)23)21-19(24)20(5,6)7/h12,22H,9-11H2,1-8H3,(H,21,24)
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n/an/a 71n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033118
PNG
(CHEMBL3357063)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCN3CCOCC3)c2n1
Show InChI InChI=1S/C23H32N6O/c1-26-8-11-28(12-9-26)21-4-2-19(3-5-21)22-24-18-20-6-7-29(23(20)25-22)13-10-27-14-16-30-17-15-27/h2-5,18H,6-17H2,1H3
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n/an/a 73n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033120
PNG
(CHEMBL3357061)
Show SMILES CN(C)c1nc(nc2N(CCCN3CCCC3)CCc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C26H39N7/c1-29(2)25-23-11-16-33(15-6-14-31-12-4-5-13-31)26(23)28-24(27-25)21-7-9-22(10-8-21)32-19-17-30(3)18-20-32/h7-10H,4-6,11-20H2,1-3H3
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n/an/a 73n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033122
PNG
(CHEMBL3356619)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(Cl)n1
Show InChI InChI=1S/C24H33ClN6/c1-28-15-17-30(18-16-28)20-7-5-19(6-8-20)23-26-22(25)21-9-14-31(24(21)27-23)13-4-12-29-10-2-3-11-29/h5-8H,2-4,9-18H2,1H3
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n/an/a 84n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297018
PNG
(CHEMBL556503 | N-[1-(Cyclopentyl)-5-methanesulfony...)
Show SMILES Cc1c2CCN(CC3CCCC3)c2c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O
Show InChI InChI=1S/C22H35N3O3S/c1-14-17-11-12-25(13-16-9-7-8-10-16)20(17)19(23-21(26)22(3,4)5)15(2)18(14)24-29(6,27)28/h16,24H,7-13H2,1-6H3,(H,23,26)
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n/an/a 95n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297006
PNG
(CHEMBL563443 | N-(4,6-dimethyl-1-pentylindolin-7-y...)
Show SMILES CCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C20H32N2O/c1-7-8-9-11-22-12-10-16-14(2)13-15(3)17(18(16)22)21-19(23)20(4,5)6/h13H,7-12H2,1-6H3,(H,21,23)
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n/an/a 110n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033121
PNG
(CHEMBL3357060)
Show SMILES COc1nc(nc2N(CCCN3CCCC3)CCc12)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C25H36N6O/c1-28-16-18-30(19-17-28)21-8-6-20(7-9-21)23-26-24-22(25(27-23)32-2)10-15-31(24)14-5-13-29-11-3-4-12-29/h6-9H,3-5,10-19H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033136
PNG
(CHEMBL3356613)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc(C)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C22H32N6O/c1-18-17-24-22(25-21(18)23-7-8-27-13-15-29-16-14-27)19-3-5-20(6-4-19)28-11-9-26(2)10-12-28/h3-6,17H,7-16H2,1-2H3,(H,23,24,25)
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n/an/a 120n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297025
PNG
(CHEMBL561135 | N-(5,7-dimethyl-6-(methylsulfonamid...)
Show SMILES CCCN1CCCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c12
Show InChI InChI=1S/C20H33N3O3S/c1-8-11-23-12-9-10-15-13(2)16(22-27(7,25)26)14(3)17(18(15)23)21-19(24)20(4,5)6/h22H,8-12H2,1-7H3,(H,21,24)
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n/an/a 130n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297016
PNG
(CHEMBL560997 | N-[1-(Cyclopropylmethyl)-5-methanes...)
Show SMILES Cc1c2CCN(CC3CC3)c2c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O
Show InChI InChI=1S/C20H31N3O3S/c1-12-15-9-10-23(11-14-7-8-14)18(15)17(21-19(24)20(3,4)5)13(2)16(12)22-27(6,25)26/h14,22H,7-11H2,1-6H3,(H,21,24)
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n/an/a 160n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033138
PNG
(CHEMBL3356612)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nccc(NCCN2CCOCC2)n1
Show InChI InChI=1S/C21H30N6O/c1-25-10-12-27(13-11-25)19-4-2-18(3-5-19)21-23-7-6-20(24-21)22-8-9-26-14-16-28-17-15-26/h2-7H,8-17H2,1H3,(H,22,23,24)
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n/an/a 190n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))		BDBM50033164
PNG
(CHEMBL3356610)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2CCOCc2c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C24H34N6O2/c1-28-9-11-30(12-10-28)20-4-2-19(3-5-20)23-26-22-6-15-32-18-21(22)24(27-23)25-7-8-29-13-16-31-17-14-29/h2-5H,6-18H2,1H3,(H,25,26,27)
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n/an/a 190n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay

ACS Med Chem Lett 5: 1235-9 (2014)


Article DOI: 10.1021/ml5003184
BindingDB Entry DOI: 10.7270/Q2M32XBN
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297005
PNG
(CHEMBL538381 | N-(1-butyl-4,6-dimethylindolin-7-yl...)
Show SMILES CCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C
Show InChI InChI=1S/C19H30N2O/c1-7-8-10-21-11-9-15-13(2)12-14(3)16(17(15)21)20-18(22)19(4,5)6/h12H,7-11H2,1-6H3,(H,20,22)
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n/an/a 220n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50296990
PNG
(CHEMBL559348 | N-(5-Methanesulfonylamino-4,6-dimet...)
Show SMILES CCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C19H31N3O3S/c1-8-10-22-11-9-14-12(2)15(21-26(7,24)25)13(3)16(17(14)22)20-18(23)19(4,5)6/h21H,8-11H2,1-7H3,(H,20,23)
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n/an/a 240n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297023
PNG
(CHEMBL556232 | N-(1-Butyl-5-methanesulfonylamino-4...)
Show SMILES CCCCn1ccc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c12
Show InChI InChI=1S/C20H31N3O3S/c1-8-9-11-23-12-10-15-13(2)16(22-27(7,25)26)14(3)17(18(15)23)21-19(24)20(4,5)6/h10,12,22H,8-9,11H2,1-7H3,(H,21,24)
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n/an/a 240n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297019
PNG
(CHEMBL551410 | N-[5-Methanesulfonylamino-1-(2-meth...)
Show SMILES COCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C19H31N3O4S/c1-12-14-8-9-22(10-11-26-6)17(14)16(20-18(23)19(3,4)5)13(2)15(12)21-27(7,24)25/h21H,8-11H2,1-7H3,(H,20,23)
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n/an/a 270n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50263192
PNG
(CHEMBL478858 | CHEMBL564483 | Pactimibe | [7-(2,2-...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CC(O)=O)c2C
Show InChI InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29)
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n/an/a 300n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL after differentiation assessed as effect on...

J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297020
PNG
(CHEMBL563918 | N-[1-(2-Ethoxyethyl)-5-methanesulfo...)
Show SMILES CCOCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(NS(C)(=O)=O)c2C
Show InChI InChI=1S/C20H33N3O4S/c1-8-27-12-11-23-10-9-15-13(2)16(22-28(7,25)26)14(3)17(18(15)23)21-19(24)20(4,5)6/h22H,8-12H2,1-7H3,(H,21,24)
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n/an/a 310n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50263196
PNG
(CHEMBL478015 | N-(5-Aminomethyl-4,6-dimethyl-1-oct...)
Show SMILES CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(CN)c2C
Show InChI InChI=1S/C24H41N3O/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-25)18(3)21(22(19)27)26-23(28)24(4,5)6/h7-16,25H2,1-6H3,(H,26,28)
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n/an/a 330n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...

J Med Chem 51: 4823-33 (2008)


Article DOI: 10.1021/jm800248r
BindingDB Entry DOI: 10.7270/Q2VT1RX7
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50209683
PNG
((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...)
Show SMILES Cc1sc2c(Br)c3ccccc3c(-c3cc(C)c(O[C@H](Cc4ccccc4)C(O)=O)c(C)c3)c2c1C
Show InChI InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1
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n/an/a 410n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of PTB1B using pNPP as substrate after 30 mins

Bioorg Med Chem 20: 1060-75 (2012)


Article DOI: 10.1016/j.bmc.2011.11.035
BindingDB Entry DOI: 10.7270/Q2BC3ZZS
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50297024
PNG
(CHEMBL563699 | N-(1-Isobutyl-5-methanesulfonylamin...)
Show SMILES CC(C)Cn1ccc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c12
Show InChI InChI=1S/C20H31N3O3S/c1-12(2)11-23-10-9-15-13(3)16(22-27(8,25)26)14(4)17(18(15)23)21-19(24)20(5,6)7/h9-10,12,22H,11H2,1-8H3,(H,21,24)
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n/an/a 480n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of ACAT in Japanese White rabbit liver microsomes

Bioorg Med Chem 17: 6020-31 (2009)


Article DOI: 10.1016/j.bmc.2009.06.047
BindingDB Entry DOI: 10.7270/Q2222TTC
More data for this
Ligand-Target Pair
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