Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM134062'   

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))	BDBM134062 (US8846689, 64) Show SMILES COc1cc(ccc1Nc1ncc(c(Oc2cccc3CN(C)C(=O)c23)n1)C(F)(F)F)C(=O)N[C@@H]1CCN(C)C[C@@H]1F |r| Show InChI InChI=1S/C28H28F4N6O4/c1-37-10-9-19(18(29)14-37)34-24(39)15-7-8-20(22(11-15)41-3)35-27-33-12-17(28(30,31)32)25(36-27)42-21-6-4-5-16-13-38(2)26(40)23(16)21/h4-8,11-12,18-19H,9-10,13-14H2,1-3H3,(H,34,39)(H,33,35,36)/t18-,19+/m0/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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