Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM50525831'   

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))	BDBM50525831 (CHEMBL4468370) Show SMILES COc1cc(NC(=O)N2CCN(CCO)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NC(C)=O)n1 Show InChI InChI=1S/C26H31ClN8O4/c1-17(37)29-20-5-3-4-6-21(20)31-24-19(27)16-28-25(33-24)32-22-8-7-18(15-23(22)39-2)30-26(38)35-11-9-34(10-12-35)13-14-36/h3-8,15-16,36H,9-14H2,1-2H3,(H,29,37)(H,30,38)(H2,28,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROS (1883 to 2347 residues) cytoplasmic domain expressed in baculovirus expression system using...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.115051 BindingDB Entry DOI: 10.7270/Q2XP78CS
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