BDBM50402422 CHEMBL2208030

SMILES: CC(=O)Nc1ccc(cc1)-c1cc(C)nc(Nc2ccc(cc2)N2CCOCC2)n1

InChI Key: InChIKey=JGFGFZXZKZEVDQ-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 = 50402422   

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))	BDBM50402422 (CHEMBL2208030) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(C)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H25N5O2/c1-16-15-22(18-3-5-19(6-4-18)25-17(2)29)27-23(24-16)26-20-7-9-21(10-8-20)28-11-13-30-14-12-28/h3-10,15H,11-14H2,1-2H3,(H,25,29)(H,24,26,27)	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	>3.00E+4	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))	BDBM50402422 (CHEMBL2208030) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(C)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H25N5O2/c1-16-15-22(18-3-5-19(6-4-18)25-17(2)29)27-23(24-16)26-20-7-9-21(10-8-20)28-11-13-30-14-12-28/h3-10,15H,11-14H2,1-2H3,(H,25,29)(H,24,26,27)	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	>980	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))	BDBM50402422 (CHEMBL2208030) Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(C)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C23H25N5O2/c1-16-15-22(18-3-5-19(6-4-18)25-17(2)29)27-23(24-16)26-20-7-9-21(10-8-20)28-11-13-30-14-12-28/h3-10,15H,11-14H2,1-2H3,(H,25,29)(H,24,26,27)	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