BDBM222528 US9315489, 64

SMILES: OCCn1cc(cn1)-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=ZUNQKDIPRNNANZ-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 = 222528   

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))	BDBM222528 (US9315489, 64) Show SMILES OCCn1cc(cn1)-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-16-3-1-15(2-4-16)24-17(27)13-7-12(8-22-9-13)14-10-23-25(11-14)5-6-26/h1-4,7-11,26H,5-6H2,(H,24,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM222528 (US9315489, 64) Show SMILES OCCn1cc(cn1)-c1cncc(c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-16-3-1-15(2-4-16)24-17(27)13-7-12(8-22-9-13)14-10-23-25(11-14)5-6-26/h1-4,7-11,26H,5-6H2,(H,24,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	114	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 μL of the compound p...				US Patent US9315489 (2016) BindingDB Entry DOI: 10.7270/Q2H130WD
					More data for this Ligand-Target Pair