BDBM50414082 CHEMBL550209

SMILES: Clc1ccc(N2CCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1

InChI Key: InChIKey=OBMVEORXOLGZKX-UHFFFAOYSA-N

Data: 1 KI

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 = 50414082   

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))	BDBM50414082 (CHEMBL550209) Show SMILES Clc1ccc(N2CCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1 Show InChI InChI=1S/C16H15ClN6O/c17-11-3-4-14(23-5-1-2-6-23)13(7-11)21-16(24)22-15-10-19-12(8-18)9-20-15/h3-4,7,9-10H,1-2,5-6H2,(H2,20,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
					More data for this Ligand-Target Pair