Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM50062371'   

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))	BDBM50062371 (CHEMBL3397292) Show SMILES Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCN2CCOCC2)nc(n1)-c1cccnc1 Show InChI InChI=1S/C27H28N8O2/c1-19-13-21(15-22(36)14-19)26-23(18-35(33-26)7-4-28)24-16-25(30-6-8-34-9-11-37-12-10-34)32-27(31-24)20-3-2-5-29-17-20/h2-3,5,13-18,36H,6-12H2,1H3,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	478	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of ROS1 (unknown origin) incubated for 20 mins followed by [33P]ATP addition measured after 120 mins by HotSpot assay				Eur J Med Chem 90: 195-208 (2015) Article DOI: 10.1016/j.ejmech.2014.11.023 BindingDB Entry DOI: 10.7270/Q2M61MX6
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50062371 (CHEMBL3397292) Show SMILES Cc1cc(O)cc(c1)-c1nn(CC#N)cc1-c1cc(NCCN2CCOCC2)nc(n1)-c1cccnc1 Show InChI InChI=1S/C27H28N8O2/c1-19-13-21(15-22(36)14-19)26-23(18-35(33-26)7-4-28)24-16-25(30-6-8-34-9-11-37-12-10-34)32-27(31-24)20-3-2-5-29-17-20/h2-3,5,13-18,36H,6-12H2,1H3,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of ROS1 in human HCC78 cells after 48 hrs by CellTitre-Glo assay				Eur J Med Chem 90: 195-208 (2015) Article DOI: 10.1016/j.ejmech.2014.11.023 BindingDB Entry DOI: 10.7270/Q2M61MX6
					More data for this Ligand-Target Pair