BDBM50069900 2,6-diisopropylphenyl 2-(2,4,6-triisopropylphenyl)acetylsulfamate::AVASIMIBE::CHEMBL101309::CI-1011::[2-(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 2,6-diisopropyl-phenyl ester

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

InChI Key: InChIKey=PTQXTEKSNBVPQJ-UHFFFAOYSA-N

Data: 13 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50069900   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	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 Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibition of ACAT by incubation with [1-14C]-oleolyl-CoA and intestinal microsomes isolated from cholesterol-fed rabbits.				Bioorg Med Chem Lett 8: 289-94 (1999) BindingDB Entry DOI: 10.7270/Q2DN446R
					More data for this Ligand-Target Pair
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 PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical Industries Curated by ChEMBL					Assay Description Inhibition of ACAT-mediated esterified cholesterol accumulation in human THP1 cells exposed to acetyl-LDL during differentiation assessed as effect o...				J Med Chem 51: 4823-33 (2008) Article DOI: 10.1021/jm800248r BindingDB Entry DOI: 10.7270/Q2VT1RX7
					More data for this Ligand-Target Pair
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 PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACAT in human HepG2 cells				Bioorg Med Chem Lett 19: 1062-5 (2009) Article DOI: 10.1016/j.bmcl.2009.01.020 BindingDB Entry DOI: 10.7270/Q2R78F3M
					More data for this Ligand-Target Pair
Sterol O-acyltransferase, Soat (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 PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co Ltd Curated by ChEMBL					Assay Description Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular [3H]-oleic acid-BSA complex into the intracellular cholesteryl ester...				Bioorg Med Chem 17: 4636-46 (2009) Article DOI: 10.1016/j.bmc.2009.04.059 BindingDB Entry DOI: 10.7270/Q24M94KR
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of ACAT2 in human MDM assessed as inhibition of acetylated LDL-induced cholesterol ester accumulation after 1 hr by HPLC analysis				Bioorg Med Chem 21: 3831-8 (2013) Article DOI: 10.1016/j.bmc.2013.04.025 BindingDB Entry DOI: 10.7270/Q2PV6MR1
					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 PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kumamoto University Curated by ChEMBL					Assay Description Inhibition of ACAT1 in human MDM assessed as inhibition of acetylated LDL-induced cholesterol ester accumulation after 1 hr by HPLC analysis				Bioorg Med Chem 21: 3831-8 (2013) Article DOI: 10.1016/j.bmc.2013.04.025 BindingDB Entry DOI: 10.7270/Q2PV6MR1
					More data for this Ligand-Target Pair
Acyl coenzyme A:cholesterol 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 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
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 PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.10E+3	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, Soat (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 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 (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 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, Soat (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 PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/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
Acyl coenzyme A:cholesterol 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 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
Acyl coenzyme A:cholesterol 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 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