BDBM50328120 1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1258245::US9670214, TABLE 10.20

SMILES: FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1

InChI Key: InChIKey=HCPAYDMQUBMGRZ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50328120   

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
Bcr-Abl (Homo sapiens (Human))	BDBM50328120 (1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)26-17-16-10-25-27(18(16)24-12-23-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
BCR/ABL fusion protein (T351I) (Homo sapiens (Human))	BDBM50328120 (1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)26-17-16-10-25-27(18(16)24-12-23-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24,26)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
BCR/ABL fusion protein isoform X3 (Homo sapiens (Human))	BDBM50328120 (1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)26-17-16-10-25-27(18(16)24-12-23-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair