BDBM50294470 6-(4H-1,2,4-triazol-3-ylthio)-3-(phenylthio)-N-(thiazol-2-yl)picolinamide::CHEMBL551648

SMILES: O=C(Nc1nccs1)c1nc(Sc2nnc[nH]2)ccc1Sc1ccccc1

InChI Key: InChIKey=URQJILNFIPQTRX-UHFFFAOYSA-N

Data: 1 EC50

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 = 50294470   

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
Hexokinase-4 (Homo sapiens (Human))	BDBM50294470 (6-(4H-1,2,4-triazol-3-ylthio)-3-(phenylthio)-N-(th...) Show SMILES O=C(Nc1nccs1)c1nc(Sc2nnc[nH]2)ccc1Sc1ccccc1 Show InChI InChI=1S/C17H12N6OS3/c24-15(22-16-18-8-9-25-16)14-12(26-11-4-2-1-3-5-11)6-7-13(21-14)27-17-19-10-20-23-17/h1-10H,(H,18,22,24)(H,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Activation of glucokinase				Bioorg Med Chem Lett 19: 2718-21 (2009) Article DOI: 10.1016/j.bmcl.2009.03.137 BindingDB Entry DOI: 10.7270/Q24M94J9
					More data for this Ligand-Target Pair