Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM394657'   

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))	BDBM394657 ((3-methylphenyl){2-[(pyridin-3-ylmethyl)amino]pyri...) Show SMILES Cc1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H16N4O/c1-13-4-2-6-15(8-13)17(23)16-11-21-18(22-12-16)20-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<13	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))	BDBM394657 ((3-methylphenyl){2-[(pyridin-3-ylmethyl)amino]pyri...) Show SMILES Cc1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H16N4O/c1-13-4-2-6-15(8-13)17(23)16-11-21-18(22-12-16)20-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.5	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))	BDBM394657 ((3-methylphenyl){2-[(pyridin-3-ylmethyl)amino]pyri...) Show SMILES Cc1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H16N4O/c1-13-4-2-6-15(8-13)17(23)16-11-21-18(22-12-16)20-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	47.8	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))	BDBM394657 ((3-methylphenyl){2-[(pyridin-3-ylmethyl)amino]pyri...) Show SMILES Cc1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H16N4O/c1-13-4-2-6-15(8-13)17(23)16-11-21-18(22-12-16)20-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair