BDBM128725 US8796244, 319

SMILES: COCCc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1

InChI Key: InChIKey=LOGILNXSZVJESJ-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 = 128725   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM128725 (US8796244, 319) Show SMILES COCCc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C21H19F3N6O2S/c1-32-8-6-18-28-29-19(33-18)14-5-7-30-16(11-25-17(30)10-14)13-3-2-4-15(9-13)27-20(31)26-12-21(22,23)24/h2-5,7,9-11H,6,8,12H2,1H3,(H2,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23.9	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description VEGFR2 (from Upstate), prepared at 2x final concentration, was incubated with test compounds, biotinylated Flt3 substrate (biotin-VASSDNEYFYVDF) (Cel...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128725 (US8796244, 319) Show SMILES COCCc1nnc(s1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C21H19F3N6O2S/c1-32-8-6-18-28-29-19(33-18)14-5-7-30-16(11-25-17(30)10-14)13-3-2-4-15(9-13)27-20(31)26-12-21(22,23)24/h2-5,7,9-11H,6,8,12H2,1H3,(H2,26,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.643	n/a	n/a	n/a	n/a	8.0	25
Astex Therapeutics Ltd US Patent					Assay Description Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...				US Patent US8796244 (2014) BindingDB Entry DOI: 10.7270/Q20C4TFP
					More data for this Ligand-Target Pair