BDBM50436342 CHEMBL2398817

SMILES: C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1

InChI Key: InChIKey=LUEHPNMNJQYIBP-MKSFZIRSSA-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 = 50436342   

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))	BDBM50436342 (CHEMBL2398817) Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r| Show InChI InChI=1S/C39H38ClNO8/c1-37-16-15-29-38(2,21-45-36(48-29)23-8-5-4-6-9-23)28(37)19-30(47-34(43)22-11-13-25(40)14-12-22)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-10-7-17-41-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,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	5.80E+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))	BDBM50436342 (CHEMBL2398817) Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r| Show InChI InChI=1S/C39H38ClNO8/c1-37-16-15-29-38(2,21-45-36(48-29)23-8-5-4-6-9-23)28(37)19-30(47-34(43)22-11-13-25(40)14-12-22)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-10-7-17-41-20-24/h4-14,17-18,20,28-30,32-33,36,42H,15-16,19,21H2,1-3H3/t28-,29+,30+,32+,33-,36-,37+,38+,39-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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