BDBM14615 N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}-5-methoxyphenyl)-2-(pyridin-3-yl)acetamide::N-pyrazinylurea Analog 8j

SMILES: COc1cc(NC(=O)Cc2cccnc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N

InChI Key: InChIKey=BBCFNGPWAWWJOK-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 = 14615   

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))	BDBM14615 (N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...) Show SMILES COc1cc(NC(=O)Cc2cccnc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C20H16ClN7O3/c1-31-17-7-15(26-19(29)5-12-3-2-4-23-9-12)14(21)6-16(17)27-20(30)28-18-11-24-13(8-22)10-25-18/h2-4,6-7,9-11H,5H2,1H3,(H,26,29)(H2,25,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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...				Bioorg Med Chem Lett 16: 2293-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.028 BindingDB Entry DOI: 10.7270/Q26971TD
					More data for this Ligand-Target Pair