null

SMILES: CCNc1ncc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1

InChI Key: InChIKey=JBPBNXCKEHXPOS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50110427   

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))	BDBM50110427 (CHEMBL3605772) Show SMILES CCNc1ncc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1 Show InChI InChI=1S/C27H23F3N6O/c1-4-31-26-32-13-19(14-33-26)6-8-20-9-21(7-5-17(20)2)25(37)35-23-10-22(27(28,29)30)11-24(12-23)36-15-18(3)34-16-36/h5,7,9-16H,4H2,1-3H3,(H,35,37)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	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))	BDBM50110427 (CHEMBL3605772) Show SMILES CCNc1ncc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cnc(C)c1 Show InChI InChI=1S/C27H23F3N6O/c1-4-31-26-32-13-19(14-33-26)6-8-20-9-21(7-5-17(20)2)25(37)35-23-10-22(27(28,29)30)11-24(12-23)36-15-18(3)34-16-36/h5,7,9-16H,4H2,1-3H3,(H,35,37)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	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