BDBM50436340 CHEMBL2398819

SMILES: C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(F)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1

InChI Key: InChIKey=RLZGQRJGUGQLGV-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 = 50436340   

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))	BDBM50436340 (CHEMBL2398819) Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(F)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r| Show InChI InChI=1S/C39H38FNO8/c1-37-15-14-29-38(2,21-45-36(48-29)22-9-5-4-6-10-22)28(37)19-30(47-34(43)23-11-7-13-25(40)17-23)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-12-8-16-41-20-24/h4-13,16-18,20,28-30,32-33,36,42H,14-15,19,21H2,1-3H3/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	3.00E+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))	BDBM50436340 (CHEMBL2398819) Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2cccc(F)c2)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1ccccc1 |r| Show InChI InChI=1S/C39H38FNO8/c1-37-15-14-29-38(2,21-45-36(48-29)22-9-5-4-6-10-22)28(37)19-30(47-34(43)23-11-7-13-25(40)17-23)39(3)33(37)32(42)31-27(49-39)18-26(46-35(31)44)24-12-8-16-41-20-24/h4-13,16-18,20,28-30,32-33,36,42H,14-15,19,21H2,1-3H3/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	13	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