Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 479.5 BDBM50328348

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50328348 (CHEMBL1257917 | diethyl 7-butyl-2-morpholino-4-phe...) Show SMILES CCCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C27H33N3O5/c1-4-7-13-21-23(26(31)34-5-2)24(27(32)35-6-3)25-20(19-11-9-8-10-12-19)18-22(28-30(21)25)29-14-16-33-17-15-29/h8-12,18H,4-7,13-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs				Bioorg Med Chem Lett 20: 6030-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.066 BindingDB Entry DOI: 10.7270/Q2RV0NX1
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50328348 (CHEMBL1257917 | diethyl 7-butyl-2-morpholino-4-phe...) Show SMILES CCCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(cc(nn12)N1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C27H33N3O5/c1-4-7-13-21-23(26(31)34-5-2)24(27(32)35-6-3)25-20(19-11-9-8-10-12-19)18-22(28-30(21)25)29-14-16-33-17-15-29/h8-12,18H,4-7,13-17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<300	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human full-length flag-tagged ACAT1 expressed in baculovirus infected insect cells after 10 mins				Bioorg Med Chem Lett 20: 6030-3 (2010) Article DOI: 10.1016/j.bmcl.2010.08.066 BindingDB Entry DOI: 10.7270/Q2RV0NX1
					More data for this Ligand-Target Pair