BDBM213559 US9278981, 151

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

InChI Key: InChIKey=KWFLSTKQMSYXEX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 213559   

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 (Homo sapiens (Human))	BDBM213559 (US9278981, 151) Show SMILES CN(CCO)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3N5O3/c1-28(6-7-29)18-17(14-9-24-12-25-10-14)8-13(11-26-18)19(30)27-15-2-4-16(5-3-15)31-20(21,22)23/h2-5,8-12,29H,6-7H2,1H3,(H,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.130	n/a	n/a	n/a	n/a	7.5	30
Novartis AG US Patent					Assay Description The assay plates were prepared by addition of 50 nL per well of compound solution in 90% DMSO. The kinase reactions were started by stepwise addition...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM213559 (US9278981, 151) Show SMILES CN(CCO)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3N5O3/c1-28(6-7-29)18-17(14-9-24-12-25-10-14)8-13(11-26-18)19(30)27-15-2-4-16(5-3-15)31-20(21,22)23/h2-5,8-12,29H,6-7H2,1H3,(H,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<3	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description For determination of ABL kinase activity, the radiometric filter-binding assay was used. The assay was performed by mixing 10 uL of the compound pre-...				US Patent US9278981 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HRD
					More data for this Ligand-Target Pair