Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM395118'   

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))	BDBM395118 (3-({2-[(1- phenylcyclobutyl) amino]pyrimidin- 5- y...) Show SMILES O=C(c1cnc(NC2(CCC2)c2ccccc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C22H18N4O/c23-13-16-6-4-7-17(12-16)20(27)18-14-24-21(25-15-18)26-22(10-5-11-22)19-8-2-1-3-9-19/h1-4,6-9,12,14-15H,5,10-11H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395118 (3-({2-[(1- phenylcyclobutyl) amino]pyrimidin- 5- y...) Show SMILES O=C(c1cnc(NC2(CCC2)c2ccccc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C22H18N4O/c23-13-16-6-4-7-17(12-16)20(27)18-14-24-21(25-15-18)26-22(10-5-11-22)19-8-2-1-3-9-19/h1-4,6-9,12,14-15H,5,10-11H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair