BDBM50224905 (Z)-7-chloro-8-(3-morpholin-4-yl-propoxy)-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,13,17,19-heptaene-18-carbonitrile::CHEMBL400397

SMILES: Clc1cc2NC(=O)Nc3cnc(C#N)c(OC\C=C/COc2cc1OCCCN1CCOCC1)n3

InChI Key: InChIKey=IDPPCTVUQPDPFF-UPHRSURJSA-N

Data: 1 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 1 hit for monomerid = 50224905   

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))	BDBM50224905 ((Z)-7-chloro-8-(3-morpholin-4-yl-propoxy)-3-oxo-11...) Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OC\C=C/COc2cc1OCCCN1CCOCC1)n3 |c:17| Show InChI InChI=1S/C23H25ClN6O5/c24-16-12-17-20(13-19(16)33-9-3-4-30-5-10-32-11-6-30)34-7-1-2-8-35-22-18(14-25)26-15-21(28-22)29-23(31)27-17/h1-2,12-13,15H,3-11H2,(H2,27,28,29,31)/b2-1-	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	0.300	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