Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM220395'   

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))	BDBM220395 (US9296708, 1, ARM-P0) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(CNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O Show InChI InChI=1S/C21H26N8O11/c30-18(31)7-6-16(20(34)35)24-21(36)23-15(19(32)33)3-1-2-8-27-11-12(25-26-27)10-22-14-5-4-13(28(37)38)9-17(14)29(39)40/h4-5,9,11,15-16,22H,1-3,6-8,10H2,(H,30,31)(H,32,33)(H,34,35)(H2,23,24,36)/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0780	n/a	1.76	n/a	n/a	n/a	n/a	n/a	n/a
YALE UNIVERSITY US Patent					Assay Description For IC50 measurements, inhibitors were dissolved in Reaction Buffer containing 40 μM NAAG to a final volume of 100 μL. Then, 25 μL of this s...				US Patent US9296708 (2016) BindingDB Entry DOI: 10.7270/Q2BP01P0
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