null

SMILES: O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1

InChI Key: InChIKey=RXWGCAHYHQFVJH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 394672   

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))	BDBM394672 (3-{[2- (benzylamino) pyrimidin-5- yl]carbonyl} ben...) Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1 Show InChI InChI=1S/C19H14N4O/c20-10-15-7-4-8-16(9-15)18(24)17-12-22-19(23-13-17)21-11-14-5-2-1-3-6-14/h1-9,12-13H,11H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	79.7	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))	BDBM394672 (3-{[2- (benzylamino) pyrimidin-5- yl]carbonyl} ben...) Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1 Show InChI InChI=1S/C19H14N4O/c20-10-15-7-4-8-16(9-15)18(24)17-12-22-19(23-13-17)21-11-14-5-2-1-3-6-14/h1-9,12-13H,11H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52.2	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))	BDBM394672 (3-{[2- (benzylamino) pyrimidin-5- yl]carbonyl} ben...) Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NCc2ccccc2)nc1 Show InChI InChI=1S/C19H14N4O/c20-10-15-7-4-8-16(9-15)18(24)17-12-22-19(23-13-17)21-11-14-5-2-1-3-6-14/h1-9,12-13H,11H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40.4	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