Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM475890'   

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))	BDBM475890 (US10864201, Ex. 11.3) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)c1ncccn1 |r| Show InChI InChI=1S/C20H26N6O/c1-20(2)7-5-14-11-15(12-23-17(14)24-20)18(27)26-10-6-16(13-26)25(3)19-21-8-4-9-22-19/h4,8-9,11-12,16H,5-7,10,13H2,1-3H3,(H,23,24)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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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