BindingDB PrimarySearch

BDBM50232538 5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine::5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine::CHEMBL251429::D156844

SMILES: Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1

InChI Key: InChIKey=GYKIQIOWVKCVBP-UHFFFAOYSA-N

Data: 4 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50232538
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Scavenger mRNA-decapping enzyme (DcpS) (Homo sapiens (Human))	BDBM50232538 (5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7.62	n/a	4	n/a	n/a	n/a	n/a
deCODE chemistry, Inc.					Assay Description In vitro biochemical assay using scavenger decapping enzyme (DcpS) as a target and cell based assay using SMN2 b-lactamase NSC-34 cell reporter gene.				ACS Chem Biol 3: 711-22 (2008) Article DOI: 10.1021/cb800120t BindingDB Entry DOI: 10.7270/Q2Z036HN
deCODE chemistry, Inc.					More data for this Ligand-Target Pair				3D Structure (crystal)
Scavenger mRNA-decapping enzyme (DcpS) (Homo sapiens (Human))	BDBM50232538 (5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human DcpS assessed as increase in SMN2 promoter activity				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50232538 (5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry Inc Curated by ChEMBL					Assay Description Inhibition of human recombinant DHFR				J Med Chem 51: 449-69 (2008) Article DOI: 10.1021/jm061475p BindingDB Entry DOI: 10.7270/Q27S7NJD
deCODE Chemistry Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50232538 (5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry Inc Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 51: 449-69 (2008) Article DOI: 10.1021/jm061475p BindingDB Entry DOI: 10.7270/Q27S7NJD
deCODE Chemistry Inc Curated by ChEMBL					More data for this Ligand-Target Pair