Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM148417'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM148417 (US8962637, 146) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CN(CCc3n2)c2cc(NC(=O)c3cc(ccn3)C(F)(F)F)ccc2C)cc1 Show InChI InChI=1S/C32H33F3N8O/c1-21-3-4-25(38-30(44)28-17-23(9-11-36-28)32(33,34)35)18-29(21)43-12-10-27-22(20-43)19-37-31(40-27)39-24-5-7-26(8-6-24)42-15-13-41(2)14-16-42/h3-9,11,17-19H,10,12-16,20H2,1-2H3,(H,38,44)(H,37,39,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Debiopharm S.A.; Aurigene Discovery Technologies Ltd. US Patent					Assay Description Compounds were screened in the TR-FRET assay for JAK2 and c-Src kinase inhibition. Ultra light poly GT (Perkin Elmer) was used as the substrate for J...				US Patent US8962637 (2015) BindingDB Entry DOI: 10.7270/Q2MS3RGN
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