BDBM50433517 CHEMBL2381231

SMILES: CN(Cc1ccccc1)c1nc(cs1)C(=O)Nc1ccccc1N1CCNCC1

InChI Key: InChIKey=JCSANXDUBXNHFP-UHFFFAOYSA-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 = 50433517   

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))	BDBM50433517 (CHEMBL2381231) Show SMILES CN(Cc1ccccc1)c1nc(cs1)C(=O)Nc1ccccc1N1CCNCC1 Show InChI InChI=1S/C22H25N5OS/c1-26(15-17-7-3-2-4-8-17)22-25-19(16-29-22)21(28)24-18-9-5-6-10-20(18)27-13-11-23-12-14-27/h2-10,16,23H,11-15H2,1H3,(H,24,28)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using biotin-RSGLYRSPSMPENLNRPR as substrate af...				Bioorg Med Chem Lett 23: 2590-4 (2013) Article DOI: 10.1016/j.bmcl.2013.02.108 BindingDB Entry DOI: 10.7270/Q2125V19
					More data for this Ligand-Target Pair