BDBM222531 US9315489, 67

SMILES: FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(c2)-c2cncnc2)cc1

InChI Key: InChIKey=WBDUCQHSAOGZPU-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 = 222531   

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))	BDBM222531 (US9315489, 67) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C22H19ClF2N4O4/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17/h1-4,9-13,17H,5-8H2,(H,29,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	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))	BDBM222531 (US9315489, 67) Show SMILES FC(F)(Cl)Oc1ccc(NC(=O)c2cnc(OC3CCOCC3)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C22H19ClF2N4O4/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17/h1-4,9-13,17H,5-8H2,(H,29,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	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