Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM408844'   

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
Pantetheinase (Homo sapiens (Human))	BDBM408844 (US10364255, Ex. 35) Show SMILES C[C@H]1CNc2ncc(cc2O1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C16H22N4O3/c1-10-7-17-15-14(23-10)6-12(8-18-15)16(22)20-5-4-13(9-20)19(3)11(2)21/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,17,18)/t10-,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
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