BDBM50436345 CHEMBL2398814

SMILES: C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1cccc2ccccc12

InChI Key: InChIKey=ABAFUEDZNZDZEN-RMUOXLJFSA-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 = 50436345   

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))	BDBM50436345 (CHEMBL2398814) Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C44H40N2O8/c1-42-18-17-34-43(2,24-50-41(53-34)30-12-6-9-26-8-4-5-11-29(26)30)33(42)21-35(52-39(48)27-15-13-25(22-45)14-16-27)44(3)38(42)37(47)36-32(54-44)20-31(51-40(36)49)28-10-7-19-46-23-28/h4-16,19-20,23,33-35,37-38,41,47H,17-18,21,24H2,1-3H3/t33-,34+,35+,37+,38-,41-,42+,43+,44-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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))	BDBM50436345 (CHEMBL2398814) Show SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]1(C)[C@H]2C[C@H](OC(=O)c2ccc(cc2)C#N)[C@@]2(C)Oc3cc(oc(=O)c3[C@H](O)[C@H]12)-c1cccnc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C44H40N2O8/c1-42-18-17-34-43(2,24-50-41(53-34)30-12-6-9-26-8-4-5-11-29(26)30)33(42)21-35(52-39(48)27-15-13-25(22-45)14-16-27)44(3)38(42)37(47)36-32(54-44)20-31(51-40(36)49)28-10-7-19-46-23-28/h4-16,19-20,23,33-35,37-38,41,47H,17-18,21,24H2,1-3H3/t33-,34+,35+,37+,38-,41-,42+,43+,44-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>6.91E+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