Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS [G2032R]' and Ligand = 'BDBM267452'   

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 [G2032R] (Homo sapiens (Human))	BDBM267452 (US10688100, Compound 35 | US10966985, Compound 35 ...) Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cn(C1)c2=O |r| Show InChI InChI=1S/C20H21FN6O2/c1-12-8-22-19(28)15-9-23-27-6-4-17(24-18(15)27)26-5-2-3-16(26)14-7-13(21)11-25(10-12)20(14)29/h4,6-7,9,11-12,16H,2-3,5,8,10H2,1H3,(H,22,28)/t12-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10688100 (2020) BindingDB Entry DOI: 10.7270/Q2KH0RC3
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS [G2032R] (Homo sapiens (Human))	BDBM267452 (US10688100, Compound 35 | US10966985, Compound 35 ...) Show SMILES C[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cn(C1)c2=O |r| Show InChI InChI=1S/C20H21FN6O2/c1-12-8-22-19(28)15-9-23-27-6-4-17(24-18(15)27)26-5-2-3-16(26)14-7-13(21)11-25(10-12)20(14)29/h4,6-7,9,11-12,16H,2-3,5,8,10H2,1H3,(H,22,28)/t12-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description The potency of a compound inhibiting wild type and exemplary mutant ROS1 kinases was determined using CisBio's HTRF Kinease-TK assay technology. ...				US Patent US10966985 (2021) BindingDB Entry DOI: 10.7270/Q2639ST6
					More data for this Ligand-Target Pair