BDBM395107 3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl}carbonyl) benzonitrile::US10308615, Example 118

SMILES: O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N

InChI Key: InChIKey=PWNZBAASKKTHKD-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 395107   

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))	BDBM395107 (3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...) Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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
Pantetheinase (Homo sapiens (Human))	BDBM395107 (3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...) Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	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))	BDBM395107 (3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...) Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.2	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