Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM475899'   

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))	BDBM475899 (US10864201, Ex. 11.12) Show SMILES CCC1(C)CCc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C19H28N4O2/c1-5-19(3)8-6-14-10-15(11-20-17(14)21-19)18(25)23-9-7-16(12-23)22(4)13(2)24/h10-11,16H,5-9,12H2,1-4H3,(H,20,21)/t16-,19?/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
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