BDBM77613 1-[5-(4-chlorophenyl)sulfanyl-4-nitro-thiophen-2-yl]ethanone::1-[5-(4-chlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone::1-[5-[(4-chlorophenyl)thio]-4-nitro-2-thienyl]ethanone::1-[5-[(4-chlorophenyl)thio]-4-nitro-2-thiophenyl]ethanone::SR-01000633247-1::cid_2819991

SMILES: CC(=O)c1cc(c(Sc2ccc(Cl)cc2)s1)[N+]([O-])=O

InChI Key: InChIKey=CXTKLJSFJQGFET-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 = 77613   

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
protein-arginine deiminase type-4 (Homo sapiens (Human))	BDBM77613 (1-[5-(4-chlorophenyl)sulfanyl-4-nitro-thiophen-2-y...) Show SMILES CC(=O)c1cc(c(Sc2ccc(Cl)cc2)s1)[N+]([O-])=O Show InChI InChI=1S/C12H8ClNO3S2/c1-7(15)11-6-10(14(16)17)12(19-11)18-9-4-2-8(13)3-5-9/h2-6H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.20E+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/Q2PK0DMQ
					More data for this Ligand-Target Pair