Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proto-oncogene tyrosine-protein kinase ROS [D2033N]' and Ligand = 'BDBM267469'   

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 [D2033N] (Homo sapiens (Human))	BDBM267469 (US10688100, Compound 45 | US10966985, Compound 45 ...) Show SMILES O[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CC(F)(F)CC2c2cc(F)ccc2OC1 |r| Show InChI InChI=1S/C20H18F3N5O3/c21-11-1-2-16-13(5-11)15-6-20(22,23)10-27(15)17-3-4-28-18(26-17)14(8-25-28)19(30)24-7-12(29)9-31-16/h1-5,8,12,15,29H,6-7,9-10H2,(H,24,30)/t12-,15?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	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 [D2033N] (Homo sapiens (Human))	BDBM267469 (US10688100, Compound 45 | US10966985, Compound 45 ...) Show SMILES O[C@H]1CNC(=O)c2cnn3ccc(nc23)N2CC(F)(F)CC2c2cc(F)ccc2OC1 |r| Show InChI InChI=1S/C20H18F3N5O3/c21-11-1-2-16-13(5-11)15-6-20(22,23)10-27(15)17-3-4-28-18(26-17)14(8-25-28)19(30)24-7-12(29)9-31-16/h1-5,8,12,15,29H,6-7,9-10H2,(H,24,30)/t12-,15?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.8	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