Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase Src' and Ligand = 'BDBM332698'   

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))	BDBM332698 (US10196378, Compound C01) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C27H29F3N6O3/c1-31-25(37)24-16-22(9-10-32-24)39-21-7-5-19(6-8-21)33-26(38)34-20-4-3-18(23(15-20)27(28,29)30)17-36-13-11-35(2)12-14-36/h3-10,15-16H,11-14,17H2,1-2H3,(H,31,37)(H2,33,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF MICHIGAN US Patent					Assay Description The biochemical assays were carried out using the non-phosphorylated kinase domain of c-Abl, Bcr-Abl in Ba/F3 cells is in the phosphorylated state.				US Patent US10196378 (2019) BindingDB Entry DOI: 10.7270/Q2ZG6VCP
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