BDBM50433213 CHEMBL2375702

SMILES: CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)C(C)C

InChI Key: InChIKey=LNHXCGUBABIYJG-XFMJBVJYSA-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 = 50433213   

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))	BDBM50433213 (CHEMBL2375702) Show SMILES CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)C(C)C |r| Show InChI InChI=1S/C41H46N2O10/c1-22(2)35(45)49-21-40(6)29-18-31(52-37(47)25-12-10-24(19-42)11-13-25)41(7)34(39(29,5)15-14-30(40)51-36(46)23(3)4)33(44)32-28(53-41)17-27(50-38(32)48)26-9-8-16-43-20-26/h8-13,16-17,20,22-23,29-31,33-34,44H,14-15,18,21H2,1-7H3/t29-,30+,31+,33+,34-,39+,40+,41-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+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: 2659-62 (2013) Article DOI: 10.1016/j.bmcl.2013.02.088 BindingDB Entry DOI: 10.7270/Q20866P3
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50433213 (CHEMBL2375702) Show SMILES CC(C)C(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(cc1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(=O)C(C)C |r| Show InChI InChI=1S/C41H46N2O10/c1-22(2)35(45)49-21-40(6)29-18-31(52-37(47)25-12-10-24(19-42)11-13-25)41(7)34(39(29,5)15-14-30(40)51-36(46)23(3)4)33(44)32-28(53-41)17-27(50-38(32)48)26-9-8-16-43-20-26/h8-13,16-17,20,22-23,29-31,33-34,44H,14-15,18,21H2,1-7H3/t29-,30+,31+,33+,34-,39+,40+,41-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	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: 2659-62 (2013) Article DOI: 10.1016/j.bmcl.2013.02.088 BindingDB Entry DOI: 10.7270/Q20866P3
					More data for this Ligand-Target Pair