BDBM50429587 CHEMBL2334202

SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O

InChI Key: InChIKey=JANLXDVWIISBJQ-ZRPSWOMSSA-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 = 50429587   

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))	BDBM50429587 (CHEMBL2334202) Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C37H38N2O10/c1-20(40)45-19-36(4)27-16-29(48-33(43)23-9-6-8-22(14-23)17-38)37(5)32(35(27,3)12-11-28(36)46-21(2)41)31(42)30-26(49-37)15-25(47-34(30)44)24-10-7-13-39-18-24/h6-10,13-15,18,27-29,31-32,42H,11-12,16,19H2,1-5H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+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))	BDBM50429587 (CHEMBL2334202) Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1C[C@H](OC(=O)c1cccc(c1)C#N)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]21)-c1cccnc1)OC(C)=O |r| Show InChI InChI=1S/C37H38N2O10/c1-20(40)45-19-36(4)27-16-29(48-33(43)23-9-6-8-22(14-23)17-38)37(5)32(35(27,3)12-11-28(36)46-21(2)41)31(42)30-26(49-37)15-25(47-34(30)44)24-10-7-13-39-18-24/h6-10,13-15,18,27-29,31-32,42H,11-12,16,19H2,1-5H3/t27-,28+,29+,31+,32-,35+,36+,37-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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