BindingDB PrimarySearch

BDBM50353052 CHEMBL1822515

SMILES: COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nn12

InChI Key: InChIKey=LLSXHTXXTKDPRH-UHFFFAOYSA-N

Data: 9 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50353052
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
Insulin receptor (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of IR				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK assessed as phosphorylated product using PLC-gamma/GST substrate by modified ELISA method				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) 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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) 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	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) 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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant JAK2 using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 21: 7325-30 (2011) Article DOI: 10.1016/j.bmcl.2011.10.032 BindingDB Entry DOI: 10.7270/Q2GT5NM2
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50353052 (CHEMBL1822515) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 54: 6328-41 (2011) Article DOI: 10.1021/jm200758k BindingDB Entry DOI: 10.7270/Q2VQ331F
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair