null

SMILES: CC(C)(O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=VYVUIBBWUGMHPS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222530   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ABL1 [64-515] (Homo sapiens (Human))	BDBM222530 (US9315489, 66) Show SMILES CC(C)(O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H17F3N4O3/c1-19(2,29)17-16(13-8-24-11-25-9-13)7-12(10-26-17)18(28)27-14-3-5-15(6-4-14)30-20(21,22)23/h3-11,29H,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, as well as four 8...				US Patent US9315489 (2016) BindingDB Entry DOI: 10.7270/Q2H130WD
					More data for this Ligand-Target Pair