Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM144329'   

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))	BDBM144329 (US8969336, 573) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@](C)(O)CC1 |r,wU:36.41,wD:33.36,36.40,(3.43,-7.91,;3.43,-6.37,;2.09,-5.6,;.76,-6.37,;-.58,-5.6,;-1.91,-6.37,;-3.24,-5.6,;-1.91,-7.91,;-.58,-4.06,;-1.91,-3.29,;-1.91,-1.75,;-.58,-.98,;-.58,.56,;-1.91,1.33,;-1.91,2.87,;-.58,3.64,;-.58,5.18,;-1.91,5.95,;-3.24,5.18,;-3.24,3.64,;-1.91,7.49,;-3.24,8.26,;-3.24,9.8,;-1.91,10.57,;-1.91,12.11,;-.58,9.8,;-.58,8.26,;-3.24,.56,;-4.58,1.33,;-3.24,-.98,;.76,-3.29,;2.09,-4.06,;3.43,-3.29,;4.76,-4.06,;4.76,-5.6,;6.09,-6.37,;7.43,-5.6,;8.24,-6.91,;8.97,-5.65,;7.43,-4.06,;6.09,-3.29,)| Show InChI InChI=1S/C31H48N8O2/c1-5-25-29(33-22-8-12-31(3,41)13-9-22)36-30(27(35-25)28(32)40)34-23-6-7-26(21(2)20-23)39-14-10-24(11-15-39)38-18-16-37(4)17-19-38/h6-7,20,22,24,41H,5,8-19H2,1-4H3,(H2,32,40)(H2,33,34,36)/t22-,31-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.780	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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