Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM220401'   

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))	BDBM220401 (US9296708, 7, ARM-P12) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)nn1)C(O)=O)C(O)=O Show InChI InChI=1S/C45H74N8O23/c54-42(55)7-6-40(44(58)59)48-45(60)47-39(43(56)57)3-1-2-9-51-34-36(49-50-51)35-76-32-31-75-30-29-74-28-27-73-26-25-72-24-23-71-22-21-70-20-19-69-18-17-68-16-15-67-14-13-66-12-11-65-10-8-46-38-5-4-37(52(61)62)33-41(38)53(63)64/h4-5,33-34,39-40,46H,1-3,6-32,35H2,(H,54,55)(H,56,57)(H,58,59)(H2,47,48,60)/t39-,40-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.65	n/a	37.3	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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