BDBM50053246 CHEMBL3330145

SMILES: OCC1CCN(CC1)c1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12

InChI Key: InChIKey=VOVZKCLMZZISTN-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 = 50053246   

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))	BDBM50053246 (CHEMBL3330145) Show SMILES OCC1CCN(CC1)c1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12 Show InChI InChI=1S/C20H20N4O2S/c25-11-12-5-8-24(9-6-12)17-13-7-10-27-20(13)23-19(26)16(17)18-21-14-3-1-2-4-15(14)22-18/h1-4,7,10,12,25H,5-6,8-9,11H2,(H,21,22)(H,23,26)	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	>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