BDBM14827 (+/-)1-[5-Chloro-2-(tetrahydro-pyran-4-yloxy)-phenyl]-3-(5-cyano-pyrazin-2-yl)-urea::3-[5-chloro-2-(oxan-4-yloxy)phenyl]-1-(5-cyanopyrazin-2-yl)urea::urea-based inhibitor 2b

SMILES: Clc1ccc(OC2CCOCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1

InChI Key: InChIKey=GELSSERXHLOALO-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 = 14827   

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))	BDBM14827 ((+/-)1-[5-Chloro-2-(tetrahydro-pyran-4-yloxy)-phen...) Show SMILES Clc1ccc(OC2CCOCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1 Show InChI InChI=1S/C17H16ClN5O3/c18-11-1-2-15(26-13-3-5-25-6-4-13)14(7-11)22-17(24)23-16-10-20-12(8-19)9-21-16/h1-2,7,9-10,13H,3-6H2,(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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				3D Structure (docked)