BDBM50053253 CHEMBL3330139

SMILES: NCCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12

InChI Key: InChIKey=MARMCAFQUOLXGI-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 = 50053253   

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))	BDBM50053253 (CHEMBL3330139) Show SMILES NCCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12 Show InChI InChI=1S/C16H15N5OS/c17-6-7-18-13-9-5-8-23-16(9)21-15(22)12(13)14-19-10-3-1-2-4-11(10)20-14/h1-5,8H,6-7,17H2,(H,19,20)(H2,18,21,22)	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	>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