BDBM50426062 CHEMBL2315288

SMILES: Nn1c(SSC2CCCCC2)nnc1-c1ccccc1

InChI Key: InChIKey=TXEAUHIEXKQBEH-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 = 50426062   

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
Thioredoxin (Homo sapiens (Human))	BDBM50426062 (CHEMBL2315288) Show SMILES Nn1c(SSC2CCCCC2)nnc1-c1ccccc1 Show InChI InChI=1S/C14H18N4S2/c15-18-13(11-7-3-1-4-8-11)16-17-14(18)20-19-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by ChEMBL					Assay Description Inhibition of human recombinant thioredoxin-mediated TG2 activation expressed in T84 cells assessed as blockade of 5-biotinamidopentylamine incorpora...				J Med Chem 56: 1301-10 (2013) Article DOI: 10.1021/jm301775s BindingDB Entry DOI: 10.7270/Q2HQ4181
					More data for this Ligand-Target Pair