BDBM50429573 CHEMBL2334216

SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O

InChI Key: InChIKey=MAVXPENGNYLBMJ-HRSZXCBJSA-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 = 50429573   

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))	BDBM50429573 (CHEMBL2334216) Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C36H37BrFNO10/c1-18(40)45-17-35(4)26-15-28(48-32(43)22-9-8-21(37)13-23(22)38)36(5)31(34(26,3)11-10-27(35)46-19(2)41)30(42)29-25(49-36)14-24(47-33(29)44)20-7-6-12-39-16-20/h6-9,12-14,16,26-28,30-31,42H,10-11,15,17H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+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) expressed in CHO cells				Bioorg Med Chem Lett 23: 1285-7 (2013) Article DOI: 10.1016/j.bmcl.2012.12.099 BindingDB Entry DOI: 10.7270/Q2P270HW
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50429573 (CHEMBL2334216) Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1ccc(Br)cc1F)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C36H37BrFNO10/c1-18(40)45-17-35(4)26-15-28(48-32(43)22-9-8-21(37)13-23(22)38)36(5)31(34(26,3)11-10-27(35)46-19(2)41)30(42)29-25(49-36)14-24(47-33(29)44)20-7-6-12-39-16-20/h6-9,12-14,16,26-28,30-31,42H,10-11,15,17H2,1-5H3/t26-,27+,28+,30+,31-,34+,35+,36-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Inhibition of ACAT2 (unknown origin) expressed in CHO cells				Bioorg Med Chem Lett 23: 1285-7 (2013) Article DOI: 10.1016/j.bmcl.2012.12.099 BindingDB Entry DOI: 10.7270/Q2P270HW
					More data for this Ligand-Target Pair