BDBM50328194 7-(2-morpholinoethyl)-N-(4-(trifluoromethoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine::CHEMBL1257783::US9670214, TABLE 12.5

SMILES: FC(F)(F)Oc1ccc(Nc2ncnc3n(CCN4CCOCC4)ccc23)cc1

InChI Key: InChIKey=LVEAXOBLYYBYKV-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 = 50328194   

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))	BDBM50328194 (7-(2-morpholinoethyl)-N-(4-(trifluoromethoxy)pheny...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CCN4CCOCC4)ccc23)cc1 Show InChI InChI=1S/C19H20F3N5O2/c20-19(21,22)29-15-3-1-14(2-4-15)25-17-16-5-6-27(18(16)24-13-23-17)8-7-26-9-11-28-12-10-26/h1-6,13H,7-12H2,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	380	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))	BDBM50328194 (7-(2-morpholinoethyl)-N-(4-(trifluoromethoxy)pheny...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CCN4CCOCC4)ccc23)cc1 Show InChI InChI=1S/C19H20F3N5O2/c20-19(21,22)29-15-3-1-14(2-4-15)25-17-16-5-6-27(18(16)24-13-23-17)8-7-26-9-11-28-12-10-26/h1-6,13H,7-12H2,(H,23,24,25)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	4.27E+3	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))	BDBM50328194 (7-(2-morpholinoethyl)-N-(4-(trifluoromethoxy)pheny...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CCN4CCOCC4)ccc23)cc1 Show InChI InChI=1S/C19H20F3N5O2/c20-19(21,22)29-15-3-1-14(2-4-15)25-17-16-5-6-27(18(16)24-13-23-17)8-7-26-9-11-28-12-10-26/h1-6,13H,7-12H2,(H,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	380	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