Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM144321'   

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 ROS (Homo sapiens (Human))	BDBM144321 (US8969336, 565) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:26.28,(4.5,2.4,;4.5,.86,;3.17,.09,;1.79,.84,;.45,.07,;-.32,1.4,;.45,2.73,;-1.86,1.4,;.45,-1.47,;-.88,-2.24,;-2.22,-1.47,;-3.55,-2.24,;-4.88,-1.47,;-4.88,.07,;-3.55,.84,;-2.22,.07,;-6.22,.84,;-7.55,.07,;-8.88,.84,;-8.93,2.4,;-10.27,3.17,;-7.55,3.15,;-6.22,2.38,;1.79,-2.24,;3.12,-1.47,;4.45,-2.24,;5.79,-1.47,;7.12,-2.24,;8.45,-1.47,;8.45,.07,;9.79,.84,;7.12,.84,;5.79,.07,)| Show InChI InChI=1S/C24H35N7O2/c1-3-20-23(26-17-6-10-19(32)11-7-17)29-24(21(28-20)22(25)33)27-16-4-8-18(9-5-16)31-14-12-30(2)13-15-31/h4-5,8-9,17,19,32H,3,6-7,10-15H2,1-2H3,(H2,25,33)(H2,26,27,29)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.; Kotobuki Pharmaceutical Co., Ltd. US Patent					Assay Description A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Exampl...				US Patent US8969336 (2015) BindingDB Entry DOI: 10.7270/Q2NV9GZW
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