BDBM50311027 CHEMBL1078228::N-(cyanomethyl)-4-(2-(3-fluoro-4-morpholinophenylamino)pyrimidin-4-yl)benzamide

SMILES: Fc1cc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)ccc1N1CCOCC1

InChI Key: InChIKey=HSQKKTMYEWBKDJ-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 = 50311027   

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))	BDBM50311027 (CHEMBL1078228 | N-(cyanomethyl)-4-(2-(3-fluoro-4-m...) Show SMILES Fc1cc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)ccc1N1CCOCC1 Show InChI InChI=1S/C23H21FN6O2/c24-19-15-18(5-6-21(19)30-11-13-32-14-12-30)28-23-27-9-7-20(29-23)16-1-3-17(4-2-16)22(31)26-10-8-25/h1-7,9,15H,10-14H2,(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	274	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))	BDBM50311027 (CHEMBL1078228 | N-(cyanomethyl)-4-(2-(3-fluoro-4-m...) Show SMILES Fc1cc(Nc2nccc(n2)-c2ccc(cc2)C(=O)NCC#N)ccc1N1CCOCC1 Show InChI InChI=1S/C23H21FN6O2/c24-19-15-18(5-6-21(19)30-11-13-32-14-12-30)28-23-27-9-7-20(29-23)16-1-3-17(4-2-16)22(31)26-10-8-25/h1-7,9,15H,10-14H2,(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	116	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