BDBM50224889 7-chloro-8-diethylamino-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,17,19-hexaene-18-carbonitrile::CHEMBL248756

SMILES: CCN(CC)c1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N

InChI Key: InChIKey=NKOIQIIJJUFFDP-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 = 50224889   

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))	BDBM50224889 (7-chloro-8-diethylamino-3-oxo-11,16-dioxa-2,4,19,2...) Show SMILES CCN(CC)c1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N Show InChI InChI=1S/C20H23ClN6O3/c1-3-27(4-2)16-10-17-14(9-13(16)21)24-20(28)26-18-12-23-15(11-22)19(25-18)30-8-6-5-7-29-17/h9-10,12H,3-8H2,1-2H3,(H2,24,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 6593-601 (2007) Article DOI: 10.1016/j.bmcl.2007.09.063 BindingDB Entry DOI: 10.7270/Q2X067WT
					More data for this Ligand-Target Pair