Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM395054'   

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))	BDBM395054 (3-({2-[(1- phenylcyclopropyl) amino]pyrimidin- 5- ...) Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16N4O/c22-12-15-5-4-6-16(11-15)19(26)17-13-23-20(24-14-17)25-21(9-10-21)18-7-2-1-3-8-18/h1-8,11,13-14H,9-10H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM395054 (3-({2-[(1- phenylcyclopropyl) amino]pyrimidin- 5- ...) Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16N4O/c22-12-15-5-4-6-16(11-15)19(26)17-13-23-20(24-14-17)25-21(9-10-21)18-7-2-1-3-8-18/h1-8,11,13-14H,9-10H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.8	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))	BDBM395054 (3-({2-[(1- phenylcyclopropyl) amino]pyrimidin- 5- ...) Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16N4O/c22-12-15-5-4-6-16(11-15)19(26)17-13-23-20(24-14-17)25-21(9-10-21)18-7-2-1-3-8-18/h1-8,11,13-14H,9-10H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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
Pantetheinase (Homo sapiens (Human))	BDBM395054 (3-({2-[(1- phenylcyclopropyl) amino]pyrimidin- 5- ...) Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16N4O/c22-12-15-5-4-6-16(11-15)19(26)17-13-23-20(24-14-17)25-21(9-10-21)18-7-2-1-3-8-18/h1-8,11,13-14H,9-10H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22.1	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