Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM50529030'   

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))	BDBM50529030 (CHEMBL4559485) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1ccn(CCN(C)C)c(=O)c1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C22H23Cl2FN4O2/c1-13(20-16(23)4-5-17(25)21(20)24)31-18-10-15(12-27-22(18)26)14-6-7-29(19(30)11-14)9-8-28(2)3/h4-7,10-13H,8-9H2,1-3H3,(H2,26,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) expressed in baculovirus expression system using IRS1 as substrate ...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111734 BindingDB Entry DOI: 10.7270/Q2T15740
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