BDBM50110426 CHEMBL3605771

SMILES: CNc1ncc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1

InChI Key: InChIKey=FEYMWTKZTZABTA-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50110426   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50110426 (CHEMBL3605771) Show SMILES CNc1ncc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1 Show InChI InChI=1S/C26H21F3N6O/c1-16-4-6-20(8-19(16)7-5-18-12-31-25(30-3)32-13-18)24(36)34-22-9-21(26(27,28)29)10-23(11-22)35-14-17(2)33-15-35/h4,6,8-15H,1-3H3,(H,34,36)(H,30,31,32)	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	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl T315I mutant (unknown origin) using Tyr2 peptide substrate after 2 hrs by FRET-based Z'-lyte assay				Bioorg Med Chem Lett 25: 3458-63 (2015) BindingDB Entry DOI: 10.7270/Q2FN180W
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50110426 (CHEMBL3605771) Show SMILES CNc1ncc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1 Show InChI InChI=1S/C26H21F3N6O/c1-16-4-6-20(8-19(16)7-5-18-12-31-25(30-3)32-13-18)24(36)34-22-9-21(26(27,28)29)10-23(11-22)35-14-17(2)33-15-35/h4,6,8-15H,1-3H3,(H,34,36)(H,30,31,32)	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	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Institutes of Biomedicine and Health Curated by ChEMBL					Assay Description Inhibition of wild type Bcr-Abl (unknown origin) using Tyr2 peptide substrate after 2 hrs by FRET-based Z'-lyte assay				Bioorg Med Chem Lett 25: 3458-63 (2015) BindingDB Entry DOI: 10.7270/Q2FN180W
					More data for this Ligand-Target Pair