BDBM50433500 CHEMBL2381105

SMILES: O=C(Nc1cccnc1N1CCNCC1)c1csc(n1)-c1ccc2OCCc2c1

InChI Key: InChIKey=VVIQCBKAZPYKRJ-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 = 50433500   

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))	BDBM50433500 (CHEMBL2381105) Show SMILES O=C(Nc1cccnc1N1CCNCC1)c1csc(n1)-c1ccc2OCCc2c1 Show InChI InChI=1S/C21H21N5O2S/c27-20(24-16-2-1-6-23-19(16)26-9-7-22-8-10-26)17-13-29-21(25-17)15-3-4-18-14(12-15)5-11-28-18/h1-4,6,12-13,22H,5,7-11H2,(H,24,27)	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	870	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