BDBM55143 2,3-dimethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide::2,3-dimethoxy-N-(1,2,4-triazol-4-ylthiocarbamoyl)benzamide::2,3-dimethoxy-N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]benzamide::MLS001033123::SMR000385534::cid_4027510

SMILES: COc1cccc(C(=O)NC(=S)Nn2cnnc2)c1OC

InChI Key: InChIKey=OHUDAHFXGSOARR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 55143   

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
Procathepsin L (Homo sapiens (Human))	BDBM55143 (2,3-dimethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)b...) Show SMILES COc1cccc(C(=O)NC(=S)Nn2cnnc2)c1OC Show InChI InChI=1S/C12H13N5O3S/c1-19-9-5-3-4-8(10(9)20-2)11(18)15-12(21)16-17-6-13-14-7-17/h3-7H,1-2H3,(H2,15,16,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.96E+4	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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20K2704
					More data for this Ligand-Target Pair
M18 aspartyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM55143 (2,3-dimethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)b...) Show SMILES COc1cccc(C(=O)NC(=S)Nn2cnnc2)c1OC Show InChI InChI=1S/C12H13N5O3S/c1-19-9-5-3-4-8(10(9)20-2)11(18)15-12(21)16-17-6-13-14-7-17/h3-7H,1-2H3,(H2,15,16,18,21)	PDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.08E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24B2ZQ2
					More data for this Ligand-Target Pair