BDBM336120 US9738658, Example 2

SMILES: Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3cccc(OC(F)(F)F)c3)C(=O)c12

InChI Key: InChIKey=ZRKOYFKSQCPPNH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 336120   

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
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human))	BDBM336120 (US9738658, Example 2) Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3cccc(OC(F)(F)F)c3)C(=O)c12 Show InChI InChI=1S/C21H15F3N6O3/c22-21(23,24)33-15-3-1-2-13(9-15)29-5-4-12-8-14(10-26-18(12)29)30-6-7-32-19-16(20(30)31)17(25)27-11-28-19/h1-5,8-11H,6-7H2,(H2,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9738658 (2017) BindingDB Entry DOI: 10.7270/Q26Q20BZ
					More data for this Ligand-Target Pair