BDBM50379750 CHEMBL2011333

SMILES: C1CN(CCN1)c1ccnc(Nc2ncc(s2)-c2ccccc2)c1

InChI Key: InChIKey=KZXWPXONQPSDJC-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 = 50379750   

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))	BDBM50379750 (CHEMBL2011333) Show SMILES C1CN(CCN1)c1ccnc(Nc2ncc(s2)-c2ccccc2)c1 Show InChI InChI=1S/C18H19N5S/c1-2-4-14(5-3-1)16-13-21-18(24-16)22-17-12-15(6-7-20-17)23-10-8-19-9-11-23/h1-7,12-13,19H,8-11H2,(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	520	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)