Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM475860'   

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))	BDBM475860 (US10864201, Ex. 5.1) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CCC2(C1)CCOCC2)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H26FN3O2/c1-22(18-2-4-19(24)5-3-18)13-16-12-17(14-25-20(16)26-22)21(28)27-9-6-23(15-27)7-10-29-11-8-23/h2-5,12,14H,6-11,13,15H2,1H3,(H,25,26)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
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