Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM475898'   

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))	BDBM475898 (US10864201, Ex. 11.11) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1CC(F)(F)C1 |r| Show InChI InChI=1S/C21H28F2N4O2/c1-20(2)6-4-13-8-14(11-24-17(13)25-20)19(29)27-7-5-16(12-27)26(3)18(28)15-9-21(22,23)10-15/h8,11,15-16H,4-7,9-10,12H2,1-3H3,(H,24,25)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	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
					More data for this Ligand-Target Pair