Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM475904'   

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))	BDBM475904 (US10864201, Ex. 12.5) Show SMILES CC1(C)CCCc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O |r| Show InChI InChI=1S/C20H28N4O2/c1-20(2)8-3-5-14-11-15(12-21-18(14)22-20)19(26)23-10-7-16(13-23)24-9-4-6-17(24)25/h11-12,16H,3-10,13H2,1-2H3,(H,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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
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