BDBM128740 US8796244, 335

SMILES: COCc1cc(nc(N)n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1

InChI Key: InChIKey=UNDXJKNUAVWPOA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 128740   

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
Fibroblast growth factor receptor 3 (Homo sapiens (Human))	BDBM128740 (US8796244, 335) Show SMILES COCc1cc(nc(N)n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N7O2/c1-34-11-16-9-17(31-20(26)29-16)13-5-6-32-18(10-27-19(32)8-13)14-3-2-4-15(7-14)30-21(33)28-12-22(23,24)25/h2-10H,11-12H2,1H3,(H2,26,29,31)(H2,28,30,33)	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	83	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM128740 (US8796244, 335) Show SMILES COCc1cc(nc(N)n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N7O2/c1-34-11-16-9-17(31-20(26)29-16)13-5-6-32-18(10-27-19(32)8-13)14-3-2-4-15(7-14)30-21(33)28-12-22(23,24)25/h2-10H,11-12H2,1H3,(H2,26,29,31)(H2,28,30,33)	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	62	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM128740 (US8796244, 335) Show SMILES COCc1cc(nc(N)n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N7O2/c1-34-11-16-9-17(31-20(26)29-16)13-5-6-32-18(10-27-19(32)8-13)14-3-2-4-15(7-14)30-21(33)28-12-22(23,24)25/h2-10H,11-12H2,1H3,(H2,26,29,31)(H2,28,30,33)	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	5.50E+3	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))	BDBM128740 (US8796244, 335) Show SMILES COCc1cc(nc(N)n1)-c1ccn2c(cnc2c1)-c1cccc(NC(=O)NCC(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N7O2/c1-34-11-16-9-17(31-20(26)29-16)13-5-6-32-18(10-27-19(32)8-13)14-3-2-4-15(7-14)30-21(33)28-12-22(23,24)25/h2-10H,11-12H2,1H3,(H2,26,29,31)(H2,28,30,33)	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	0.990	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