Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM134115'   

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))	BDBM134115 (US8846689, 117) Show SMILES CON1Cc2cccc(Oc3nc(Nc4ccc(cc4OC)C(=O)N[C@@H]4CCCN(C)C4)ncc3C(F)(F)F)c2C1=O |r| Show InChI InChI=1S/C28H29F3N6O5/c1-36-11-5-7-18(15-36)33-24(38)16-9-10-20(22(12-16)40-2)34-27-32-13-19(28(29,30)31)25(35-27)42-21-8-4-6-17-14-37(41-3)26(39)23(17)21/h4,6,8-10,12-13,18H,5,7,11,14-15H2,1-3H3,(H,33,38)(H,32,34,35)/t18-/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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