BDBM50433214 CHEMBL2375701

SMILES: CCC(=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)CC

InChI Key: InChIKey=LITJWEWIVJZXSL-MOOCLLNDSA-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 = 50433214   

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))	BDBM50433214 (CHEMBL2375701) Show SMILES CCC(=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)CC |r| Show InChI InChI=1S/C39H42N2O10/c1-6-30(42)47-21-38(4)27-18-29(50-35(45)23-12-10-22(19-40)11-13-23)39(5)34(37(27,3)15-14-28(38)49-31(43)7-2)33(44)32-26(51-39)17-25(48-36(32)46)24-9-8-16-41-20-24/h8-13,16-17,20,27-29,33-34,44H,6-7,14-15,18,21H2,1-5H3/t27-,28+,29+,33+,34-,37+,38+,39-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+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))	BDBM50433214 (CHEMBL2375701) Show SMILES CCC(=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)CC |r| Show InChI InChI=1S/C39H42N2O10/c1-6-30(42)47-21-38(4)27-18-29(50-35(45)23-12-10-22(19-40)11-13-23)39(5)34(37(27,3)15-14-28(38)49-31(43)7-2)33(44)32-26(51-39)17-25(48-36(32)46)24-9-8-16-41-20-24/h8-13,16-17,20,27-29,33-34,44H,6-7,14-15,18,21H2,1-5H3/t27-,28+,29+,33+,34-,37+,38+,39-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	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