BDBM394673 3-({2-[(4- chlorobenzyl)amino] pyrimidin-5- yl}carbonyl) benzonitrile::US10308615, Example 28

SMILES: Clc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)cc1

InChI Key: InChIKey=VTBSCCAXSPGIKU-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 = 394673   

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))	BDBM394673 (3-({2-[(4- chlorobenzyl)amino] pyrimidin-5- yl}car...) Show SMILES Clc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C19H13ClN4O/c20-17-6-4-13(5-7-17)10-22-19-23-11-16(12-24-19)18(25)15-3-1-2-14(8-15)9-21/h1-8,11-12H,10H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.2	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))	BDBM394673 (3-({2-[(4- chlorobenzyl)amino] pyrimidin-5- yl}car...) Show SMILES Clc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C19H13ClN4O/c20-17-6-4-13(5-7-17)10-22-19-23-11-16(12-24-19)18(25)15-3-1-2-14(8-15)9-21/h1-8,11-12H,10H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	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))	BDBM394673 (3-({2-[(4- chlorobenzyl)amino] pyrimidin-5- yl}car...) Show SMILES Clc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C19H13ClN4O/c20-17-6-4-13(5-7-17)10-22-19-23-11-16(12-24-19)18(25)15-3-1-2-14(8-15)9-21/h1-8,11-12H,10H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.8	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