Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM394669'   

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))	BDBM394669 ((3-chlorophenyl){2- [(2-phenylpropan-2- yl)amino]p...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C20H18ClN3O/c1-20(2,16-8-4-3-5-9-16)24-19-22-12-15(13-23-19)18(25)14-7-6-10-17(21)11-14/h3-13H,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.5	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))	BDBM394669 ((3-chlorophenyl){2- [(2-phenylpropan-2- yl)amino]p...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C20H18ClN3O/c1-20(2,16-8-4-3-5-9-16)24-19-22-12-15(13-23-19)18(25)14-7-6-10-17(21)11-14/h3-13H,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64.5	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))	BDBM394669 ((3-chlorophenyl){2- [(2-phenylpropan-2- yl)amino]p...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C20H18ClN3O/c1-20(2,16-8-4-3-5-9-16)24-19-22-12-15(13-23-19)18(25)14-7-6-10-17(21)11-14/h3-13H,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	74.1	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