BDBM50311022 CHEMBL1078005::N-(cyanomethyl)-4-(5-methyl-2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide

SMILES: Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N

InChI Key: InChIKey=PKEOFNLYKBPOQT-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 = 50311022   

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 JAK3 (Homo sapiens (Human))	BDBM50311022 (CHEMBL1078005 | N-(cyanomethyl)-4-(5-methyl-2-(4-m...) Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N Show InChI InChI=1S/C24H24N6O2/c1-17-16-27-24(28-20-6-8-21(9-7-20)30-12-14-32-15-13-30)29-22(17)18-2-4-19(5-3-18)23(31)26-11-10-25/h2-9,16H,11-15H2,1H3,(H,26,31)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK3 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50311022 (CHEMBL1078005 | N-(cyanomethyl)-4-(5-methyl-2-(4-m...) Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1ccc(cc1)C(=O)NCC#N Show InChI InChI=1S/C24H24N6O2/c1-17-16-27-24(28-20-6-8-21(9-7-20)30-12-14-32-15-13-30)29-22(17)18-2-4-19(5-3-18)23(31)26-11-10-25/h2-9,16H,11-15H2,1H3,(H,26,31)(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cytopia Research Pty Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 kinase				Bioorg Med Chem Lett 19: 5887-92 (2009) Article DOI: 10.1016/j.bmcl.2009.08.071 BindingDB Entry DOI: 10.7270/Q2C24WKM
					More data for this Ligand-Target Pair