Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 622.4 BDBM223504

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

Found 1 hit 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))	BDBM223504 (US9321728, 27) Show SMILES OC(=O)C[C@H]1CCC(CC1)c1ccc(NC(=O)CCNC(=O)c2nc(oc2C(F)(F)F)-c2ccc(Br)cc2)cc1 |r,wD:4.3,(12.93,2.21,;12.93,3.75,;14.27,4.52,;11.6,4.52,;10.27,3.75,;8.93,4.52,;7.6,3.75,;7.6,2.21,;8.93,1.44,;10.27,2.21,;6.27,1.44,;4.93,2.21,;3.6,1.44,;3.6,-.1,;2.26,-.87,;.93,-.1,;.93,1.44,;-.4,-.87,;-1.74,-.1,;-3.07,-.87,;-4.4,-.1,;-4.4,1.44,;-5.74,-.87,;-7.2,-.4,;-8.11,-1.64,;-7.2,-2.89,;-5.65,-2.43,;-4.39,-3.32,;-3.13,-4.21,;-5.27,-4.58,;-3.5,-2.06,;-9.65,-1.64,;-10.42,-.31,;-11.96,-.31,;-12.73,-1.64,;-14.27,-1.64,;-11.96,-2.98,;-10.42,-2.98,;4.93,-.87,;6.27,-.1,)| Show InChI InChI=1S/C28H27BrF3N3O5/c29-20-9-5-19(6-10-20)27-35-24(25(40-27)28(30,31)32)26(39)33-14-13-22(36)34-21-11-7-18(8-12-21)17-3-1-16(2-4-17)15-23(37)38/h5-12,16-17H,1-4,13-15H2,(H,33,39)(H,34,36)(H,37,38)/t16-,17?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY; HANDOK PHARMACEUTICALS CO., LTD. US Patent					Assay Description Human DGAT-1 activity was determined as follows: Assay buffer [20 mM HEPES (pH 7.4), 100 mM MgCl2, 0.04% BSA] containing 500 μM of enzyme substr...				US Patent US9321728 (2016) BindingDB Entry DOI: 10.7270/Q2FX789Z
					More data for this Ligand-Target Pair