Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS' and Ligand = 'BDBM374712'   

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))	BDBM374712 (12-chloro-11-fluoro-13-methyl-6,7-dihydro- 13H-1,1...) Show SMILES CC1Oc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H14ClFN4O3/c1-9-14-12(3-2-11(19)15(14)18)25-7-5-20-17(24)10-8-21-23-6-4-13(26-9)22-16(10)23/h2-4,6,8-9H,5,7H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
Turning Point Therapeutics, Inc. US Patent					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				US Patent US10618912 (2020) BindingDB Entry DOI: 10.7270/Q2SN0D08
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM374712 (12-chloro-11-fluoro-13-methyl-6,7-dihydro- 13H-1,1...) Show SMILES CC1Oc2ccn3ncc(C(=O)NCCOc4ccc(F)c(Cl)c14)c3n2 Show InChI InChI=1S/C17H14ClFN4O3/c1-9-14-12(3-2-11(19)15(14)18)25-7-5-20-17(24)10-8-21-23-6-4-13(26-9)22-16(10)23/h2-4,6,8-9H,5,7H2,1H3,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description Kinase binding assays were performed at DiscoveRx using the general KINOMEscan Kd Protocol (Fabian, M. A. et al., “A small molecule-kinase interactio...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q20P12B6
					More data for this Ligand-Target Pair