Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM134168'   

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))	BDBM134168 (US8846689, 170) Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3CN(C)C(=O)c23)n1 |r| Show InChI InChI=1S/C28H30ClFN6O4/c1-15-10-21(23(39-4)11-17(15)25(37)32-20-8-9-35(2)14-19(20)30)33-28-31-12-18(29)26(34-28)40-22-7-5-6-16-13-36(3)27(38)24(16)22/h5-7,10-12,19-20H,8-9,13-14H2,1-4H3,(H,32,37)(H,31,33,34)/t19-,20+/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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