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SMILES: Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1

InChI Key: InChIKey=KBMLPTBEXTYAKP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 395062   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pantetheinase (Homo sapiens (Human))	BDBM395062 ((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...) Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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))	BDBM395062 ((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...) Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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))	BDBM395062 ((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...) Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	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