Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM245599'   

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))	BDBM245599 (US9428508, 54) Show SMILES CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CO)cc2)nc2NCCc12 Show InChI InChI=1S/C22H26N6O3S/c1-14(2)28-32(30,31)19-6-4-3-5-18(19)25-21-17-11-12-23-20(17)26-22(27-21)24-16-9-7-15(13-29)8-10-16/h3-10,14,28-29H,11-13H2,1-2H3,(H3,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<20	n/a	n/a	n/a	n/a	n/a	n/a
Centaurus BioPharma Co., Ltd. US Patent					Assay Description To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...				US Patent US9428508 (2016) BindingDB Entry DOI: 10.7270/Q2BR8R3S
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