BDBM50425781 CHEMBL2316581

SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ncnn4c3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=VVUAISPVTHIENZ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50425781   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50425781 (CHEMBL2316581) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4ncnn4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H26F3N7O/c1-19-3-5-22(13-21(19)6-4-20-15-32-27-33-18-34-38(27)16-20)26(39)35-24-8-7-23(25(14-24)28(29,30)31)17-37-11-9-36(2)10-12-37/h3,5,7-8,13-16,18H,9-12,17H2,1-2H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay				J Med Chem 56: 879-94 (2013) Article DOI: 10.1021/jm301581y BindingDB Entry DOI: 10.7270/Q2V40WH7
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