BDBM134209 US8846689, 211

SMILES: COc1cc(ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F)C#CCN(C)C

InChI Key: InChIKey=XFKPQLKULDIPIJ-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 = 134209   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM134209 (US8846689, 211) Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F)C#CCN(C)C Show InChI InChI=1S/C26H24F3N5O3/c1-33(2)12-6-7-16-10-11-19(21(13-16)36-4)31-25-30-14-18(26(27,28)29)23(32-25)37-20-9-5-8-17-15-34(3)24(35)22(17)20/h5,8-11,13-14H,12,15H2,1-4H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...				US Patent US8846689 (2014) BindingDB Entry DOI: 10.7270/Q2BC3X7Z
					More data for this Ligand-Target Pair