BDBM50436346 CHEMBL2398813

SMILES: Cc1cccc(C)c1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1

InChI Key: InChIKey=ABZWZWCOZORHIB-LVIBBYQVSA-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 = 50436346   

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 2 (Homo sapiens (Human))	BDBM50436346 (CHEMBL2398813) Show SMILES Cc1cccc(C)c1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r| Show InChI InChI=1S/C42H42N2O8/c1-23-8-6-9-24(2)33(23)39-48-22-41(4)30-19-32(50-37(46)26-13-11-25(20-43)12-14-26)42(5)36(40(30,3)16-15-31(41)51-39)35(45)34-29(52-42)18-28(49-38(34)47)27-10-7-17-44-21-27/h6-14,17-18,21,30-32,35-36,39,45H,15-16,19,22H2,1-5H3/t30-,31+,32+,35+,36-,39-,40+,41+,42-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	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
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436346 (CHEMBL2398813) Show SMILES Cc1cccc(C)c1[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)-c2cccnc2)O1 |r| Show InChI InChI=1S/C42H42N2O8/c1-23-8-6-9-24(2)33(23)39-48-22-41(4)30-19-32(50-37(46)26-13-11-25(20-43)12-14-26)42(5)36(40(30,3)16-15-31(41)51-39)35(45)34-29(52-42)18-28(49-38(34)47)27-10-7-17-44-21-27/h6-14,17-18,21,30-32,35-36,39,45H,15-16,19,22H2,1-5H3/t30-,31+,32+,35+,36-,39-,40+,41+,42-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.12E+4	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