BDBM114431 5-[[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester::5-[[[[(4-bromo-2,5-dimethyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester::MLS001035785::SMR000666341::cid_2205361::dimethyl 5-[[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate::dimethyl 5-[[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate

SMILES: COC(=O)c1sc(NC(=S)NNC(=O)c2c(Br)c(C)nn2C)c(C(=O)OC)c1C

InChI Key: InChIKey=HYVJKDVHTPBYQF-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 = 114431   

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
Major prion protein (Homo sapiens (Human))	BDBM114431 (5-[[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amin...) Show SMILES COC(=O)c1sc(NC(=S)NNC(=O)c2c(Br)c(C)nn2C)c(C(=O)OC)c1C Show InChI InChI=1S/C16H18BrN5O5S2/c1-6-8(14(24)26-4)13(29-11(6)15(25)27-5)18-16(28)20-19-12(23)10-9(17)7(2)21-22(10)3/h1-5H3,(H,19,23)(H2,18,20,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2HM573M
					More data for this Ligand-Target Pair