BDBM50436339 CHEMBL2396678

SMILES: COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1

InChI Key: InChIKey=XIAXCKTUNUGJKS-WVGFPPCDSA-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 = 50436339   

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))	BDBM50436339 (CHEMBL2396678) Show SMILES COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r| Show InChI InChI=1S/C40H41NO9/c1-38-17-16-30-39(2,22-46-37(49-30)24-9-6-5-7-10-24)29(38)20-31(48-35(43)23-12-14-26(45-4)15-13-23)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)25-11-8-18-41-21-25/h5-15,18-19,21,29-31,33-34,37,42H,16-17,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of ACAT1 (unknown origin)				Bioorg Med Chem Lett 23: 3798-801 (2013) Article DOI: 10.1016/j.bmcl.2013.04.075 BindingDB Entry DOI: 10.7270/Q2WD41Z9
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50436339 (CHEMBL2396678) Show SMILES COc1ccc(cc1)C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(O[C@]12C)cc(oc3=O)-c1cccnc1)c1ccccc1 |r| Show InChI InChI=1S/C40H41NO9/c1-38-17-16-30-39(2,22-46-37(49-30)24-9-6-5-7-10-24)29(38)20-31(48-35(43)23-12-14-26(45-4)15-13-23)40(3)34(38)33(42)32-28(50-40)19-27(47-36(32)44)25-11-8-18-41-21-25/h5-15,18-19,21,29-31,33-34,37,42H,16-17,20,22H2,1-4H3/t29-,30+,31+,33+,34-,37-,38+,39+,40-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of ACAT2 (unknown origin)				Bioorg Med Chem Lett 23: 3798-801 (2013) Article DOI: 10.1016/j.bmcl.2013.04.075 BindingDB Entry DOI: 10.7270/Q2WD41Z9
					More data for this Ligand-Target Pair