BDBM77521 (3-nitro-4-pentoxy-phenyl)methyl carbamimidothioate;hydrochloride::(3-nitro-4-pentoxyphenyl)methyl carbamimidothioate;hydrochloride::2-(3-Nitro-4-pentyloxy-benzyl)-isothiourea::2-(4-amoxy-3-nitro-benzyl)isothiourea;hydrochloride::MLS000552578::SMR000146093::carbamimidothioic acid (3-nitro-4-pentoxyphenyl)methyl ester;hydrochloride::cid_11957158

SMILES: CCCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O

InChI Key: InChIKey=ZJCAADTWXGBVBW-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 = 77521   

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
Group III secretory phopholipase A2 (Homo sapiens (Human))	BDBM77521 ((3-nitro-4-pentoxy-phenyl)methyl carbamimidothioat...) Show SMILES CCCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O Show InChI InChI=1S/C13H19N3O3S/c1-2-3-4-7-19-12-6-5-10(9-20-13(14)15)8-11(12)16(17)18/h5-6,8H,2-4,7,9H2,1H3,(H3,14,15)	KEGG GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.22E+5	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 (2014) BindingDB Entry DOI: 10.7270/Q2CV4GCW
					More data for this Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655)	BDBM77521 ((3-nitro-4-pentoxy-phenyl)methyl carbamimidothioat...) Show SMILES CCCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O Show InChI InChI=1S/C13H19N3O3S/c1-2-3-4-7-19-12-6-5-10(9-20-13(14)15)8-11(12)16(17)18/h5-6,8H,2-4,7,9H2,1H3,(H3,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.95E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TB15CW
					More data for this Ligand-Target Pair