Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM144328'   

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))	BDBM144328 (US8969336, 572) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(CC3)C(C)C)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:29.31,wD:32.35,(5.27,1.66,;5.27,.12,;3.94,-.65,;2.55,.09,;1.22,-.68,;.45,.65,;1.22,1.99,;-1.09,.65,;1.22,-2.22,;-.11,-2.99,;-1.45,-2.22,;-1.45,-.68,;-2.78,.09,;-4.11,-.68,;-5.45,.09,;-6.78,-.68,;-8.12,.09,;-8.16,1.66,;-6.78,2.4,;-5.45,1.63,;-9.5,2.43,;-10.83,1.66,;-9.5,3.97,;-4.16,-2.25,;-5.5,-3.02,;-2.78,-2.99,;2.55,-2.99,;3.89,-2.22,;5.22,-2.99,;6.56,-2.22,;6.56,-.68,;7.89,.09,;9.22,-.68,;10.56,.09,;9.22,-2.22,;7.89,-2.99,)| Show InChI InChI=1S/C27H41N7O2/c1-5-22-26(29-19-6-9-21(35)10-7-19)32-27(24(31-22)25(28)36)30-20-8-11-23(18(4)16-20)34-14-12-33(13-15-34)17(2)3/h8,11,16-17,19,21,35H,5-7,9-10,12-15H2,1-4H3,(H2,28,36)(H2,29,30,32)/t19-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.370	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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