BDBM14828 (+/-)1-[5-Chloro-2-(1-methyl-piperidin-4-yloxy)-phenyl]-3-(5-cyano-pyrazin-2-yl)-urea::3-{5-chloro-2-[(1-methylpiperidin-4-yl)oxy]phenyl}-1-(5-cyanopyrazin-2-yl)urea::urea-based inhibitor 2c

SMILES: CN1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=WTQRLVNDANHFDI-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14828   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14828 ((+/-)1-[5-Chloro-2-(1-methyl-piperidin-4-yloxy)-ph...) Show SMILES CN1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C18H19ClN6O2/c1-25-6-4-14(5-7-25)27-16-3-2-12(19)8-15(16)23-18(26)24-17-11-21-13(9-20)10-22-17/h2-3,8,10-11,14H,4-7H2,1H3,(H2,22,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...				J Med Chem 48: 3118-21 (2005) Article DOI: 10.1021/jm048989d BindingDB Entry DOI: 10.7270/Q2HM56PT
					More data for this Ligand-Target Pair