Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM408814'   

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))	BDBM408814 (US10364255, Ex. 6) Show SMILES CC[C@@H]1COc2cc(cnc2N1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C19H22N4O2/c1-2-16-12-25-17-9-15(10-21-18(17)22-16)19(24)23-8-5-14(11-23)13-3-6-20-7-4-13/h3-4,6-7,9-10,14,16H,2,5,8,11-12H2,1H3,(H,21,22)/t14?,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	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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