BDBM50379545 CHEMBL2012844

SMILES: OCCCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1

InChI Key: InChIKey=BZSBRKJJYGJVSC-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 = 50379545   

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))	BDBM50379545 (CHEMBL2012844) Show SMILES OCCCNC(=O)c1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C18H17N5O3/c24-8-2-7-20-17(25)13-10-16-21-22-18(26)23(16)15-9-11(4-5-12(13)15)14-3-1-6-19-14/h1,3-6,9-10,19,24H,2,7-8H2,(H,20,25)(H,22,26)	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	440	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
					More data for this Ligand-Target Pair