BDBM50379747 CHEMBL2011329

SMILES: OCC1CN(CCO1)c1ccnc(Nc2ncc(s2)-c2cccnc2)c1

InChI Key: InChIKey=JROIOLKNLAZRTG-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 = 50379747   

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))	BDBM50379747 (CHEMBL2011329) Show SMILES OCC1CN(CCO1)c1ccnc(Nc2ncc(s2)-c2cccnc2)c1 Show InChI InChI=1S/C18H19N5O2S/c24-12-15-11-23(6-7-25-15)14-3-5-20-17(8-14)22-18-21-10-16(26-18)13-2-1-4-19-9-13/h1-5,8-10,15,24H,6-7,11-12H2,(H,20,21,22)	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	49	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Competitive inhibition of Chk1 in presence of higher ATP levels				Bioorg Med Chem Lett 22: 2609-12 (2012) Article DOI: 10.1016/j.bmcl.2012.01.110 BindingDB Entry DOI: 10.7270/Q22F7PFG
					More data for this Ligand-Target Pair				3D Structure (docked)