Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM134091'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM134091 (US8846689, 93) Show SMILES COc1cc(CN(C)C)ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F Show InChI InChI=1S/C24H24F3N5O3/c1-31(2)12-14-8-9-17(19(10-14)34-4)29-23-28-11-16(24(25,26)27)21(30-23)35-18-7-5-6-15-13-32(3)22(33)20(15)18/h5-11H,12-13H2,1-4H3,(H,28,29,30)	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
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