BDBM50462668 CHEMBL4242551

SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCSc1nc2cccc(CN(C)C)c2o1

InChI Key: InChIKey=YGOFGCMLLBWLSV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50462668   

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
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50462668 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+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
Acyl coenzyme A:cholesterol acyltransferase 1 (Mus musculus)	BDBM50462668 (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 B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+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 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