BDBM50402423 CHEMBL2208029

SMILES: CC(=O)Nc1ccc(cc1)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F

InChI Key: InChIKey=BYHMRSHIDGDWLN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50402423   

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 JAK2 (Homo sapiens (Human))	BDBM50402423 (CHEMBL2208029) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C23H22F3N5O2/c1-15(32)28-17-4-2-16(3-5-17)21-20(23(24,25)26)14-27-22(30-21)29-18-6-8-19(9-7-18)31-10-12-33-13-11-31/h2-9,14H,10-13H2,1H3,(H,28,32)(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphorylation				Bioorg Med Chem Lett 22: 7653-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.007 BindingDB Entry DOI: 10.7270/Q2PZ59ZN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50402423 (CHEMBL2208029) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C23H22F3N5O2/c1-15(32)28-17-4-2-16(3-5-17)21-20(23(24,25)26)14-27-22(30-21)29-18-6-8-19(9-7-18)31-10-12-33-13-11-31/h2-9,14H,10-13H2,1H3,(H,28,32)(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.6	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of JAK2				Bioorg Med Chem Lett 22: 7653-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.007 BindingDB Entry DOI: 10.7270/Q2PZ59ZN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50402423 (CHEMBL2208029) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C23H22F3N5O2/c1-15(32)28-17-4-2-16(3-5-17)21-20(23(24,25)26)14-27-22(30-21)29-18-6-8-19(9-7-18)31-10-12-33-13-11-31/h2-9,14H,10-13H2,1H3,(H,28,32)(H,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>980	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of JAK3				Bioorg Med Chem Lett 22: 7653-8 (2012) Article DOI: 10.1016/j.bmcl.2012.10.007 BindingDB Entry DOI: 10.7270/Q2PZ59ZN
					More data for this Ligand-Target Pair