Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'shibuya' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50466752 (CHEMBL4281138) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C23H29N5OS4/c1-16-14-19(30-2)21(22(24-16)31-3)26-20(29)15-28-10-8-27(9-11-28)12-13-32-23-25-17-6-4-5-7-18(17)33-23/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50462683 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462683 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466740 (CHEMBL4282905) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C23H29N5O2S3/c1-16-14-19(31-2)21(22(24-16)32-3)26-20(29)15-28-10-8-27(9-11-28)12-13-33-23-25-17-6-4-5-7-18(17)30-23/h4-7,14H,8-13,15H2,1-3H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Rattus norvegicus)	BDBM50033969 (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)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM182847 (US9149492, K-604) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462702 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50462670 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466741 (CHEMBL4291768) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ncccc3o2)CC1 Show InChI InChI=1S/C22H28N6O2S3/c1-15-13-17(31-2)19(21(24-15)32-3)25-18(29)14-28-9-7-27(8-10-28)11-12-33-22-26-20-16(30-22)5-4-6-23-20/h4-6,13H,7-12,14H2,1-3H3,(H,25,29)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462703 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466744 (CHEMBL4280317) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3s2)CC1 Show InChI InChI=1S/C27H36N4OS2/c1-19(2)21-8-7-9-22(20(3)4)26(21)29-25(32)18-31-14-12-30(13-15-31)16-17-33-27-28-23-10-5-6-11-24(23)34-27/h5-11,19-20H,12-18H2,1-4H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462682 (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 B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466753 (CHEMBL4283167) Show SMILES CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4o3)CC2)c(c1)C(C)C Show InChI InChI=1S/C30H42N4O2S/c1-20(2)23-17-24(21(3)4)29(25(18-23)22(5)6)32-28(35)19-34-13-11-33(12-14-34)15-16-37-30-31-26-9-7-8-10-27(26)36-30/h7-10,17-18,20-22H,11-16,19H2,1-6H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50466756 (CHEMBL4287597) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C28H38N4O2S/c1-20(2)22-9-7-10-23(21(3)4)27(22)30-26(33)19-32-16-14-31(15-17-32)13-8-18-35-28-29-24-11-5-6-12-25(24)34-28/h5-7,9-12,20-21H,8,13-19H2,1-4H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50466754 (CHEMBL4294841) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C27H36N4O2S/c1-19(2)21-8-7-9-22(20(3)4)26(21)29-25(32)18-31-14-12-30(13-15-31)16-17-34-27-28-23-10-5-6-11-24(23)33-27/h5-11,19-20H,12-18H2,1-4H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462658 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466745 (CHEMBL4284218) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C27H37N5OS/c1-19(2)21-8-7-9-22(20(3)4)26(21)30-25(33)18-32-14-12-31(13-15-32)16-17-34-27-28-23-10-5-6-11-24(23)29-27/h5-11,19-20H,12-18H2,1-4H3,(H,28,29)(H,30,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462659 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462665 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50462680 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466748 (CHEMBL4277672) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CC[C@H]1CCCC[C@H]1CSc1nc2ccccc2o1 |r| Show InChI InChI=1S/C29H38N2O2S/c1-19(2)23-12-9-13-24(20(3)4)28(23)31-27(32)17-16-21-10-5-6-11-22(21)18-34-29-30-25-14-7-8-15-26(25)33-29/h7-9,12-15,19-22H,5-6,10-11,16-18H2,1-4H3,(H,31,32)/t21-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50466749 (CHEMBL4294442) Show SMILES CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ncccc4o3)CC2)c(c1)C(C)C Show InChI InChI=1S/C29H41N5O2S/c1-19(2)22-16-23(20(3)4)27(24(17-22)21(5)6)31-26(35)18-34-12-10-33(11-13-34)14-15-37-29-32-28-25(36-29)8-7-9-30-28/h7-9,16-17,19-21H,10-15,18H2,1-6H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462671 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466742 (CHEMBL4293342) Show SMILES CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4s3)CC2)c(c1)C(C)C Show InChI InChI=1S/C30H42N4OS2/c1-20(2)23-17-24(21(3)4)29(25(18-23)22(5)6)32-28(35)19-34-13-11-33(12-14-34)15-16-36-30-31-26-9-7-8-10-27(26)37-30/h7-10,17-18,20-22H,11-16,19H2,1-6H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462660 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466746 (CHEMBL4279691) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCN(CCCSc2nc3ccccc3o2)CC1 Show InChI InChI=1S/C29H40N4O2S/c1-21(2)23-10-7-11-24(22(3)4)28(23)31-27(34)20-33-15-8-14-32(17-18-33)16-9-19-36-29-30-25-12-5-6-13-26(25)35-29/h5-7,10-13,21-22H,8-9,14-20H2,1-4H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM182847 (US9149492, K-604) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3ccccc3[nH]2)CC1 Show InChI InChI=1S/C23H30N6OS3/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human ACAT1				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50466743 (CHEMBL4294421) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3ncccc3o2)CC1 Show InChI InChI=1S/C26H35N5O2S/c1-18(2)20-7-5-8-21(19(3)4)24(20)28-23(32)17-31-13-11-30(12-14-31)15-16-34-26-29-25-22(33-26)9-6-10-27-25/h5-10,18-19H,11-17H2,1-4H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462679 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50466750 (CHEMBL4291024) Show SMILES CC(C)c1cc(C(C)C)c(NC(=O)CN2CCN(CCSc3nc4ccccc4[nH]3)CC2)c(c1)C(C)C Show InChI InChI=1S/C30H43N5OS/c1-20(2)23-17-24(21(3)4)29(25(18-23)22(5)6)33-28(36)19-35-13-11-34(12-14-35)15-16-37-30-31-26-9-7-8-10-27(26)32-30/h7-10,17-18,20-22H,11-16,19H2,1-6H3,(H,31,32)(H,33,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Kowa Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...				J Med Chem 61: 10635-10650 (2018) Article DOI: 10.1021/acs.jmedchem.8b01256 BindingDB Entry DOI: 10.7270/Q2J38W80
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Mus musculus)	BDBM50462704 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4249612) Show SMILES Cc1cnn(CCCCC[S@+]([O-])c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1C |r| 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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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 (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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/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 (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 B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/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

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