Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM134114'   

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))	BDBM134114 (US8846689, 116) Show SMILES CON1Cc2cccc(Oc3nc(Nc4cc(F)c(cc4OC)C(=O)N[C@@H]4CCCN(C)C4)ncc3C(F)(F)F)c2C1=O |r| Show InChI InChI=1S/C28H28F4N6O5/c1-37-9-5-7-16(14-37)34-24(39)17-10-22(41-2)20(11-19(17)29)35-27-33-12-18(28(30,31)32)25(36-27)43-21-8-4-6-15-13-38(42-3)26(40)23(15)21/h4,6,8,10-12,16H,5,7,9,13-14H2,1-3H3,(H,34,39)(H,33,35,36)/t16-/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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