BDBM50053248 CHEMBL3330143

SMILES: COC(=O)CCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12

InChI Key: InChIKey=KCOMLANBYLKECE-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 = 50053248   

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))	BDBM50053248 (CHEMBL3330143) Show SMILES COC(=O)CCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12 Show InChI InChI=1S/C18H16N4O3S/c1-25-13(23)6-8-19-15-10-7-9-26-18(10)22-17(24)14(15)16-20-11-4-2-3-5-12(11)21-16/h2-5,7,9H,6,8H2,1H3,(H,20,21)(H2,19,22,24)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay				Bioorg Med Chem 22: 4882-92 (2014) Article DOI: 10.1016/j.bmc.2014.06.044 BindingDB Entry DOI: 10.7270/Q2TM7CRB
					More data for this Ligand-Target Pair