Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM134063'   

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))	BDBM134063 (US8846689, 65) Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(F)cc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F |r| Show InChI InChI=1S/C28H27F5N6O4/c1-38-8-7-19(18(30)13-38)35-24(40)15-9-22(42-3)20(10-17(15)29)36-27-34-11-16(28(31,32)33)25(37-27)43-21-6-4-5-14-12-39(2)26(41)23(14)21/h4-6,9-11,18-19H,7-8,12-13H2,1-3H3,(H,35,40)(H,34,36,37)/t18-,19+/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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