Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM134109'   

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))	BDBM134109 (US8846689, 111) Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(c(Oc2cccc3C(C)N(C)C(=O)c23)n1)C(F)(F)F |w:31.34| Show InChI InChI=1S/C29H30ClF3N6O4/c1-15-17-6-5-7-22(24(17)27(41)39(15)3)43-26-19(29(31,32)33)14-34-28(37-26)36-21-13-20(30)18(12-23(21)42-4)25(40)35-16-8-10-38(2)11-9-16/h5-7,12-16H,8-11H2,1-4H3,(H,35,40)(H,34,36,37)	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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