BindingDB PrimarySearch

BDBM50439947 CHEMBL2420310

SMILES: OCCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1

InChI Key: InChIKey=QPJUVRIRYLMERM-UHFFFAOYSA-N

Data: 7 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50439947
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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	109	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of DNA-PK autophosphorylation at S2056 in human HeLa cells				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in cisapride treated CHO cells by Ion Works assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50439947 (CHEMBL2420310) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Newcastle University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using GST-tagged p53N66 as substrate after 1 hr by ELISA-based chemiluminiscence assay				J Med Chem 56: 6386-401 (2013) Article DOI: 10.1021/jm400915j BindingDB Entry DOI: 10.7270/Q2RF5WFD
Newcastle University Curated by ChEMBL					More data for this Ligand-Target Pair