Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM144325'   

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))	BDBM144325 (US8969336, 569) Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1N[C@H]1CC[C@H](O)CC1 |r,wU:33.36,wD:36.40,(6.63,1.24,;6.63,-.3,;5.29,-1.07,;3.91,-.33,;2.58,-1.1,;1.81,.24,;2.58,1.57,;.27,.24,;2.58,-2.64,;1.24,-3.41,;-.09,-2.64,;-.09,-1.1,;-1.42,-.33,;-2.76,-1.1,;-4.09,-.33,;-5.42,-1.1,;-6.76,-.33,;-6.76,1.21,;-5.42,1.98,;-4.09,1.21,;-8.09,1.98,;-8.09,3.52,;-9.43,4.29,;-10.81,3.55,;-12.14,4.32,;-10.76,1.98,;-9.43,1.21,;-2.81,-2.67,;-4.14,-3.44,;-1.42,-3.41,;3.91,-3.41,;5.24,-2.64,;6.58,-3.41,;7.91,-2.64,;7.91,-1.1,;9.25,-.33,;10.58,-1.1,;11.91,-.33,;10.58,-2.64,;9.25,-3.41,)| Show InChI InChI=1S/C30H46N8O2/c1-4-25-29(32-21-5-8-24(39)9-6-21)35-30(27(34-25)28(31)40)33-22-7-10-26(20(2)19-22)38-13-11-23(12-14-38)37-17-15-36(3)16-18-37/h7,10,19,21,23-24,39H,4-6,8-9,11-18H2,1-3H3,(H2,31,40)(H2,32,33,35)/t21-,24-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.650	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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