BindingDB logo
myBDB logout

PubMed code 29945757

Compile data set for download or QSAR
Found 70 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462683
PNG
(CHEMBL4247249)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C28H38N2O2S/c1-20(2)22-14-13-15-23(21(3)4)27(22)30-26(31)18-9-7-5-6-8-12-19-33-28-29-24-16-10-11-17-25(24)32-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Rattus norvegicus)
BDBM50033969
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT2 in rat hepatic microsomes


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50069900
PNG
(2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)...)
Show SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(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)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in human monocytes-derived macrophages reduction in cholesteryl oleate formation preincubated for 2 hrs followed by [14C]-oleic a...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462702
PNG
(CHEMBL4241747)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H37N3OS/c1-19(2)21-13-12-14-22(20(3)4)26(21)30-25(31)17-8-6-5-7-11-18-32-27-28-23-15-9-10-16-24(23)29-27/h9-10,12-16,19-20H,5-8,11,17-18H2,1-4H3,(H,28,29)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462684
PNG
(CHEMBL4243015)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C27H36N2O2S/c1-19(2)21-13-12-14-22(20(3)4)26(21)29-25(30)17-8-6-5-7-11-18-32-27-28-23-15-9-10-16-24(23)31-27/h9-10,12-16,19-20H,5-8,11,17-18H2,1-4H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462661
PNG
(CHEMBL4240947)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C28H38N2OS2/c1-20(2)22-14-13-15-23(21(3)4)27(22)30-26(31)18-9-7-5-6-8-12-19-32-28-29-24-16-10-11-17-25(24)33-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462653
PNG
(CHEMBL4245998)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C26H35N3OS/c1-18(2)20-12-11-13-21(19(3)4)25(20)29-24(30)16-7-5-6-10-17-31-26-27-22-14-8-9-15-23(22)28-26/h8-9,11-15,18-19H,5-7,10,16-17H2,1-4H3,(H,27,28)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462652
PNG
(CHEMBL4248936)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C27H36N2OS2/c1-19(2)21-13-12-14-22(20(3)4)26(21)29-25(30)17-8-6-5-7-11-18-31-27-28-23-15-9-10-16-24(23)32-27/h9-10,12-16,19-20H,5-8,11,17-18H2,1-4H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50069900
PNG
(2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)...)
Show SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(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)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse IC21 cells in absence of BSA


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462703
PNG
(CHEMBL4249787)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C29H40N2O2S/c1-21(2)23-15-14-16-24(22(3)4)28(23)31-27(32)19-10-8-6-5-7-9-13-20-34-29-30-25-17-11-12-18-26(25)33-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462706
PNG
(CHEMBL4249263)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cc(ccc2o1)C(F)(F)F
Show InChI InChI=1S/C26H31F3N2O2S/c1-16(2)19-9-8-10-20(17(3)4)24(19)31-23(32)11-6-5-7-14-34-25-30-21-15-18(26(27,28)29)12-13-22(21)33-25/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462670
PNG
(CHEMBL4239138)
Show SMILES COC(=O)c1cccc2nc(SCCCCCC(=O)Nc3c(cccc3C(C)C)C(C)C)oc12
Show InChI InChI=1S/C27H34N2O4S/c1-17(2)19-11-9-12-20(18(3)4)24(19)29-23(30)15-7-6-8-16-34-27-28-22-14-10-13-21(25(22)33-27)26(31)32-5/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462677
PNG
(CHEMBL4245984)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2s1
Show InChI InChI=1S/C21H24N2OS2/c1-13(2)15-8-7-9-16(14(3)4)20(15)23-19(24)12-25-21-22-17-10-5-6-11-18(17)26-21/h5-11,13-14H,12H2,1-4H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462682
PNG
(CHEMBL4239248)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H25N3OS/c1-13(2)15-8-7-9-16(14(3)4)20(15)24-19(25)12-26-21-22-17-10-5-6-11-18(17)23-21/h5-11,13-14H,12H2,1-4H3,(H,22,23)(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462658
PNG
(CHEMBL4238015)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nc2ccccc2s1
Show InChI InChI=1S/C22H26N2OS2/c1-14(2)16-8-7-9-17(15(3)4)21(16)24-20(25)12-13-26-22-23-18-10-5-6-11-19(18)27-22/h5-11,14-15H,12-13H2,1-4H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462659
PNG
(CHEMBL4248950)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C28H39N3OS/c1-20(2)22-14-13-15-23(21(3)4)27(22)31-26(32)18-9-7-5-6-8-12-19-33-28-29-24-16-10-11-17-25(24)30-28/h10-11,13-17,20-21H,5-9,12,18-19H2,1-4H3,(H,29,30)(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462665
PNG
(CHEMBL4248172)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C26H34N2O2S/c1-18(2)20-12-11-13-21(19(3)4)25(20)28-24(29)16-7-5-6-10-17-31-26-27-22-14-8-9-15-23(22)30-26/h8-9,11-15,18-19H,5-7,10,16-17H2,1-4H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50005944
PNG
(2,2-Dimethyl-dodecanoic acid (2,4,6-trimethoxy-phe...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC
Show InChI InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462680
PNG
(CHEMBL4238030)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H33N3OS/c1-17(2)19-11-10-12-20(18(3)4)24(19)28-23(29)15-6-5-9-16-30-25-26-21-13-7-8-14-22(21)27-25/h7-8,10-14,17-18H,5-6,9,15-16H2,1-4H3,(H,26,27)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462671
PNG
(CHEMBL4249719)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(C)cc2o1
Show InChI InChI=1S/C26H34N2O2S/c1-17(2)20-10-9-11-21(18(3)4)25(20)28-24(29)12-7-6-8-15-31-26-27-22-14-13-19(5)16-23(22)30-26/h9-11,13-14,16-18H,6-8,12,15H2,1-5H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462660
PNG
(CHEMBL4245518)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCCCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C34H50N2O2S/c1-26(2)28-20-19-21-29(27(3)4)33(28)36-32(37)24-15-13-11-9-7-5-6-8-10-12-14-18-25-39-34-35-30-22-16-17-23-31(30)38-34/h16-17,19-23,26-27H,5-15,18,24-25H2,1-4H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462657
PNG
(CHEMBL4244680)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C26H34N2OS2/c1-18(2)20-12-11-13-21(19(3)4)25(20)28-24(29)16-7-5-6-10-17-30-26-27-22-14-8-9-15-23(22)31-26/h8-9,11-15,18-19H,5-7,10,16-17H2,1-4H3,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462679
PNG
(CHEMBL4244693)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H41N3OS/c1-21(2)23-15-14-16-24(22(3)4)28(23)32-27(33)19-10-8-6-5-7-9-13-20-34-29-30-25-17-11-12-18-26(25)31-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,30,31)(H,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462708
PNG
(CHEMBL4243773)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nc2ccccc2o1
Show InChI InChI=1S/C22H26N2O2S/c1-14(2)16-8-7-9-17(15(3)4)21(16)24-20(25)12-13-27-22-23-18-10-5-6-11-19(18)26-22/h5-11,14-15H,12-13H2,1-4H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 470n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462707
PNG
(CHEMBL4249269)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2c(cccc2o1)N(C)C
Show InChI InChI=1S/C27H37N3O2S/c1-18(2)20-12-10-13-21(19(3)4)25(20)28-24(31)16-8-7-9-17-33-27-29-26-22(30(5)6)14-11-15-23(26)32-27/h10-15,18-19H,7-9,16-17H2,1-6H3,(H,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462704
PNG
(CHEMBL4238769)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cc(ccc2o1)N(C)C
Show InChI InChI=1S/C27H37N3O2S/c1-18(2)21-11-10-12-22(19(3)4)26(21)29-25(31)13-8-7-9-16-33-27-28-23-17-20(30(5)6)14-15-24(23)32-27/h10-12,14-15,17-19H,7-9,13,16H2,1-6H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462699
PNG
(CHEMBL4245696)
Show SMILES COC(=O)c1ccc2nc(SCCCCCC(=O)Nc3c(cccc3C(C)C)C(C)C)oc2c1
Show InChI InChI=1S/C27H34N2O4S/c1-17(2)20-10-9-11-21(18(3)4)25(20)29-24(30)12-7-6-8-15-34-27-28-22-14-13-19(26(31)32-5)16-23(22)33-27/h9-11,13-14,16-18H,6-8,12,15H2,1-5H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462674
PNG
(CHEMBL4245162)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C29H40N2OS2/c1-21(2)23-15-14-16-24(22(3)4)28(23)31-27(32)19-10-8-6-5-7-9-13-20-33-29-30-25-17-11-12-18-26(25)34-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462672
PNG
(CHEMBL4249612)
Show SMILES Cc1cnn(CCCCC[S@+]([O-])c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1C
Show InChI InChI=1S/C25H28N4OS/c1-19-18-26-29(20(19)2)16-10-5-11-17-31(30)25-27-23(21-12-6-3-7-13-21)24(28-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,27,28)/t31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50069900
PNG
(2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)...)
Show SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(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)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462700
PNG
(CHEMBL4242889)
Show SMILES COC(=O)c1ccc2oc(SCCCCCC(=O)Nc3c(cccc3C(C)C)C(C)C)nc2c1
Show InChI InChI=1S/C27H34N2O4S/c1-17(2)20-10-9-11-21(18(3)4)25(20)29-24(30)12-7-6-8-15-34-27-28-22-16-19(26(31)32-5)13-14-23(22)33-27/h9-11,13-14,16-18H,6-8,12,15H2,1-5H3,(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50069900
PNG
(2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)...)
Show SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(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)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in 0.2 mg/ml rat liver microsomes


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50069900
PNG
(2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)...)
Show SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(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)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse IC21 cells in presence of BSA


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462690
PNG
(CHEMBL4242494)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccc(N(C)C)c2o1
Show InChI InChI=1S/C27H37N3O2S/c1-18(2)20-12-10-13-21(19(3)4)25(20)29-24(31)16-8-7-9-17-33-27-28-22-14-11-15-23(30(5)6)26(22)32-27/h10-15,18-19H,7-9,16-17H2,1-6H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50033969
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 820n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462651
PNG
(CHEMBL4250140)
Show SMILES COC(=O)c1cccc2oc(SCCCCCC(=O)Nc3c(cccc3C(C)C)C(C)C)nc12
Show InChI InChI=1S/C27H34N2O4S/c1-17(2)19-11-9-12-20(18(3)4)24(19)28-23(30)15-7-6-8-16-34-27-29-25-21(26(31)32-5)13-10-14-22(25)33-27/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50033969
PNG
(3-(2,4-Difluoro-phenyl)-1-[5-(4,5-diphenyl-1H-imid...)
Show SMILES CCCCCCCN(CCCCCSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462669
PNG
(CHEMBL4245509)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cc(CO)ccc2o1
Show InChI InChI=1S/C26H34N2O3S/c1-17(2)20-9-8-10-21(18(3)4)25(20)28-24(30)11-6-5-7-14-32-26-27-22-15-19(16-29)12-13-23(22)31-26/h8-10,12-13,15,17-18,29H,5-7,11,14,16H2,1-4H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462655
PNG
(CHEMBL4242952)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(cc2o1)N(C)C
Show InChI InChI=1S/C27H37N3O2S/c1-18(2)21-11-10-12-22(19(3)4)26(21)29-25(31)13-8-7-9-16-33-27-28-23-15-14-20(30(5)6)17-24(23)32-27/h10-12,14-15,17-19H,7-9,13,16H2,1-6H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462687
PNG
(CHEMBL4247160)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2o1
Show InChI InChI=1S/C21H24N2O2S/c1-13(2)15-8-7-9-16(14(3)4)20(15)23-19(24)12-26-21-22-17-10-5-6-11-18(17)25-21/h5-11,13-14H,12H2,1-4H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462694
PNG
(CHEMBL4245060)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2c(CN(C)C)cccc2o1
Show InChI InChI=1S/C28H39N3O2S/c1-19(2)22-13-11-14-23(20(3)4)27(22)29-25(32)16-8-7-9-17-34-28-30-26-21(18-31(5)6)12-10-15-24(26)33-28/h10-15,19-20H,7-9,16-18H2,1-6H3,(H,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462689
PNG
(CHEMBL4246755)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ncccc2o1
Show InChI InChI=1S/C24H31N3O2S/c1-16(2)18-10-8-11-19(17(3)4)22(18)26-21(28)13-6-5-7-15-30-24-27-23-20(29-24)12-9-14-25-23/h8-12,14,16-17H,5-7,13,15H2,1-4H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462678
PNG
(CHEMBL4241732)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCCCCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C34H51N3OS/c1-26(2)28-20-19-21-29(27(3)4)33(28)37-32(38)24-15-13-11-9-7-5-6-8-10-12-14-18-25-39-34-35-30-22-16-17-23-31(30)36-34/h16-17,19-23,26-27H,5-15,18,24-25H2,1-4H3,(H,35,36)(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462693
PNG
(CHEMBL4238820)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cc(CN(C)C)ccc2o1
Show InChI InChI=1S/C28H39N3O2S/c1-19(2)22-11-10-12-23(20(3)4)27(22)30-26(32)13-8-7-9-16-34-28-29-24-17-21(18-31(5)6)14-15-25(24)33-28/h10-12,14-15,17,19-20H,7-9,13,16,18H2,1-6H3,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462673
PNG
(CHEMBL4245885)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCCCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C34H50N2OS2/c1-26(2)28-20-19-21-29(27(3)4)33(28)36-32(37)24-15-13-11-9-7-5-6-8-10-12-14-18-25-38-34-35-30-22-16-17-23-31(30)39-34/h16-17,19-23,26-27H,5-15,18,24-25H2,1-4H3,(H,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462654
PNG
(CHEMBL4239246)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C25H32N2O2S/c1-17(2)19-11-10-12-20(18(3)4)24(19)27-23(28)15-6-5-9-16-30-25-26-21-13-7-8-14-22(21)29-25/h7-8,10-14,17-18H,5-6,9,15-16H2,1-4H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462695
PNG
(CHEMBL4249315)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccc(CO)c2o1
Show InChI InChI=1S/C26H34N2O3S/c1-17(2)20-11-9-12-21(18(3)4)24(20)28-23(30)14-6-5-7-15-32-26-27-22-13-8-10-19(16-29)25(22)31-26/h8-13,17-18,29H,5-7,14-16H2,1-4H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462667
PNG
(CHEMBL4240484)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(O)cc2o1
Show InChI InChI=1S/C25H32N2O3S/c1-16(2)19-9-8-10-20(17(3)4)24(19)27-23(29)11-6-5-7-14-31-25-26-21-13-12-18(28)15-22(21)30-25/h8-10,12-13,15-17,28H,5-7,11,14H2,1-4H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462656
PNG
(CHEMBL4250104)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(CN(C)C)cc2o1
Show InChI InChI=1S/C28H39N3O2S/c1-19(2)22-11-10-12-23(20(3)4)27(22)30-26(32)13-8-7-9-16-34-28-29-24-15-14-21(18-31(5)6)17-25(24)33-28/h10-12,14-15,17,19-20H,7-9,13,16,18H2,1-6H3,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462663
PNG
(CHEMBL4249196)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cnccc2o1
Show InChI InChI=1S/C24H31N3O2S/c1-16(2)18-9-8-10-19(17(3)4)23(18)27-22(28)11-6-5-7-14-30-24-26-20-15-25-13-12-21(20)29-24/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462691
PNG
(CHEMBL4244682)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cc(O)ccc2o1
Show InChI InChI=1S/C25H32N2O3S/c1-16(2)19-9-8-10-20(17(3)4)24(19)27-23(29)11-6-5-7-14-31-25-26-21-15-18(28)12-13-22(21)30-25/h8-10,12-13,15-17,28H,5-7,11,14H2,1-4H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462686
PNG
(CHEMBL4249785)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCSc1nc2ccccc2o1
Show InChI InChI=1S/C23H28N2O2S/c1-15(2)17-9-7-10-18(16(3)4)22(17)25-21(26)13-8-14-28-23-24-19-11-5-6-12-20(19)27-23/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462666
PNG
(CHEMBL4237641)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccnc2o1
Show InChI InChI=1S/C24H31N3O2S/c1-16(2)18-10-8-11-19(17(3)4)22(18)27-21(28)13-6-5-7-15-30-24-26-20-12-9-14-25-23(20)29-24/h8-12,14,16-17H,5-7,13,15H2,1-4H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462662
PNG
(CHEMBL4249325)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H29N3OS/c1-15(2)17-9-7-10-18(16(3)4)22(17)26-21(27)13-8-14-28-23-24-19-11-5-6-12-20(19)25-23/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H,24,25)(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462685
PNG
(CHEMBL4239678)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCSc1nc2ccccc2o1
Show InChI InChI=1S/C24H30N2O2S/c1-16(2)18-10-9-11-19(17(3)4)23(18)26-22(27)14-7-8-15-29-24-25-20-12-5-6-13-21(20)28-24/h5-6,9-13,16-17H,7-8,14-15H2,1-4H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Homo sapiens (Human))
BDBM50069900
PNG
(2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)...)
Show SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(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)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in human monocytes-derived macrophages reduction in cholesteryl oleate formation preincubated for 2 hrs followed by [14C]-oleic a...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462688
PNG
(CHEMBL4250566)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccncc2o1
Show InChI InChI=1S/C24H31N3O2S/c1-16(2)18-9-8-10-19(17(3)4)23(18)27-22(28)11-6-5-7-14-30-24-26-20-12-13-25-15-21(20)29-24/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462705
PNG
(CHEMBL4237474)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(cc2o1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-16(2)19-9-8-10-20(17(3)4)24(19)28-23(29)11-6-5-7-14-33-26-27-21-13-12-18(25(30)31)15-22(21)32-26/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,28,29)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462701
PNG
(CHEMBL4238468)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C25H32N2OS2/c1-17(2)19-11-10-12-20(18(3)4)24(19)27-23(28)15-6-5-9-16-29-25-26-21-13-7-8-14-22(21)30-25/h7-8,10-14,17-18H,5-6,9,15-16H2,1-4H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462681
PNG
(CHEMBL4242171)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H31N3OS/c1-16(2)18-10-9-11-19(17(3)4)23(18)27-22(28)14-7-8-15-29-24-25-20-12-5-6-13-21(20)26-24/h5-6,9-13,16-17H,7-8,14-15H2,1-4H3,(H,25,26)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462676
PNG
(CHEMBL4242159)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCSc1nc2ccccc2s1
Show InChI InChI=1S/C23H28N2OS2/c1-15(2)17-9-7-10-18(16(3)4)22(17)25-21(26)13-8-14-27-23-24-19-11-5-6-12-20(19)28-23/h5-7,9-12,15-16H,8,13-14H2,1-4H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462668
PNG
(CHEMBL4242551)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccc(CN(C)C)c2o1
Show InChI InChI=1S/C28H39N3O2S/c1-19(2)22-13-11-14-23(20(3)4)26(22)30-25(32)16-8-7-9-17-34-28-29-24-15-10-12-21(18-31(5)6)27(24)33-28/h10-15,19-20H,7-9,16-18H2,1-6H3,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462650
PNG
(CHEMBL4241301)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2ccc(CO)cc2o1
Show InChI InChI=1S/C26H34N2O3S/c1-17(2)20-9-8-10-21(18(3)4)25(20)28-24(30)11-6-5-7-14-32-26-27-22-13-12-19(16-29)15-23(22)31-26/h8-10,12-13,15,17-18,29H,5-7,11,14,16H2,1-4H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462692
PNG
(CHEMBL4238382)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2c(O)cccc2o1
Show InChI InChI=1S/C25H32N2O3S/c1-16(2)18-10-8-11-19(17(3)4)23(18)26-22(29)14-6-5-7-15-31-25-27-24-20(28)12-9-13-21(24)30-25/h8-13,16-17,28H,5-7,14-15H2,1-4H3,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462698
PNG
(CHEMBL4243357)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2c(cccc2o1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-16(2)18-10-8-11-19(17(3)4)23(18)27-22(29)14-6-5-7-15-33-26-28-24-20(25(30)31)12-9-13-21(24)32-26/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,27,29)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462697
PNG
(CHEMBL4249684)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cc(ccc2o1)C(O)=O
Show InChI InChI=1S/C26H32N2O4S/c1-16(2)19-9-8-10-20(17(3)4)24(19)28-23(29)11-6-5-7-14-33-26-27-21-15-18(25(30)31)12-13-22(21)32-26/h8-10,12-13,15-17H,5-7,11,14H2,1-4H3,(H,28,29)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462696
PNG
(CHEMBL4245054)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccc(C(O)=O)c2o1
Show InChI InChI=1S/C26H32N2O4S/c1-16(2)18-10-8-11-19(17(3)4)23(18)28-22(29)14-6-5-7-15-33-26-27-21-13-9-12-20(25(30)31)24(21)32-26/h8-13,16-17H,5-7,14-15H2,1-4H3,(H,28,29)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462664
PNG
(CHEMBL4249312)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2c(CO)cccc2o1
Show InChI InChI=1S/C26H34N2O3S/c1-17(2)20-11-9-12-21(18(3)4)25(20)27-23(30)14-6-5-7-15-32-26-28-24-19(16-29)10-8-13-22(24)31-26/h8-13,17-18,29H,5-7,14-16H2,1-4H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Rattus norvegicus)
BDBM50069900
PNG
(2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)...)
Show SMILES CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(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)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in 1 mg/ml rat liver microsomes


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Mus musculus)
BDBM50462675
PNG
(CHEMBL4248482)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CCCCSc1nc2ccccc2s1
Show InChI InChI=1S/C24H30N2OS2/c1-16(2)18-10-9-11-19(17(3)4)23(18)26-22(27)14-7-8-15-28-24-25-20-12-5-6-13-21(20)29-24/h5-6,9-13,16-17H,7-8,14-15H2,1-4H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



Kowa Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified cholesterol accumulation after 18 hrs in presence of 25-hydroxycholestero...


Bioorg Med Chem 26: 4001-4013 (2018)


Article DOI: 10.1016/j.bmc.2018.06.024
BindingDB Entry DOI: 10.7270/Q22F7R3T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%