BindingDB PrimarySearch

BDBM50244569 AP24283::CHEMBL510893::N-(4-(dimethylphosphoryl)phenyl)-9-(2-(5-methyl-1H-indazol-4-yl)vinyl)-9H-purin-6-amine::N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine

SMILES: Cc1ccc2[nH]ncc2c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12

InChI Key: InChIKey=UNPSONVHRMUXFE-ZHACJKMWSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50244569
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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50244569 (AP24283 \| CHEMBL510893 \| N-(4-(dimethylphosphoryl)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
ARIAD Pharmaceuticals Inc					More data for this Ligand-Target Pair				3D Structure (crystal)
ABL Mutant (T315I) (Homo sapiens (Human))	BDBM50244569 (AP24283 \| CHEMBL510893 \| N-(4-(dimethylphosphoryl)...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
ARIAD Pharmaceuticals Inc					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50244569 (AP24283 \| CHEMBL510893 \| N-(4-(dimethylphosphoryl)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<0.460	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of human Src kinase by TR-FRET assay				Bioorg Med Chem Lett 18: 4907-12 (2008) Article DOI: 10.1016/j.bmcl.2008.06.042 BindingDB Entry DOI: 10.7270/Q2H41R78
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50244569 (AP24283 \| CHEMBL510893 \| N-(4-(dimethylphosphoryl)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	<0.460	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl kinase				Bioorg Med Chem Lett 18: 4907-12 (2008) Article DOI: 10.1016/j.bmcl.2008.06.042 BindingDB Entry DOI: 10.7270/Q2H41R78
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Fibronectin (Homo sapiens (Human))	BDBM50244569 (AP24283 \| CHEMBL510893 \| N-(4-(dimethylphosphoryl)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
ARIAD Pharmaceuticals Inc					More data for this Ligand-Target Pair