Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM134166'   

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))	BDBM134166 (US8846689, 168) Show SMILES CO[C@H]1CN(C)CC[C@H]1NC(=O)c1cc(OC)c(Nc2ncc(Cl)c(Oc3cccc4CN(C)C(=O)c34)n2)cc1F |r| Show InChI InChI=1S/C28H30ClFN6O5/c1-35-9-8-19(23(14-35)40-4)32-25(37)16-10-22(39-3)20(11-18(16)30)33-28-31-12-17(29)26(34-28)41-21-7-5-6-15-13-36(2)27(38)24(15)21/h5-7,10-12,19,23H,8-9,13-14H2,1-4H3,(H,32,37)(H,31,33,34)/t19-,23+/m1/s1	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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