BDBM42045 MLS000554273::S-[1-(1-acetylindol-3-yl)-2-nitroethyl] ethanethioate::S-[1-(1-ethanoylindol-3-yl)-2-nitro-ethyl] ethanethioate::SMR000146590::Thioacetic acid S-[1-(1-acetyl-1H-indol-3-yl)-2-nitro-ethyl] ester::cid_3775080::ethanethioic acid S-[1-(1-acetyl-3-indolyl)-2-nitroethyl] ester::ethanethioic acid S-[1-(1-acetylindol-3-yl)-2-nitro-ethyl] ester

SMILES: CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12

InChI Key: InChIKey=HUTFFQPOGUXDQI-UHFFFAOYSA-N

Data: 2 IC50  4 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 6 hits for monomerid = 42045   

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
Galanin receptor 2 (Homo sapiens (Human))	BDBM42045 (MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...) Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12 Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.44E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2D21W05
					More data for this Ligand-Target Pair
Galanin receptor 2 (Homo sapiens (Human))	BDBM42045 (MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...) Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12 Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.71E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2W094B7
					More data for this Ligand-Target Pair
Hsf1 protein (Mus musculus)	BDBM42045 (MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...) Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12 Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.84E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK
					More data for this Ligand-Target Pair
RPL19A (Saccharomyces cerevisiae)	BDBM42045 (MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...) Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12 Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
					More data for this Ligand-Target Pair
LAP4 (Saccharomyces cerevisiae)	BDBM42045 (MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...) Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12 Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21R6P02
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM42045 (MLS000554273 | S-[1-(1-acetylindol-3-yl)-2-nitroet...) Show SMILES CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12 Show InChI InChI=1S/C14H14N2O4S/c1-9(17)15-7-12(11-5-3-4-6-13(11)15)14(8-16(19)20)21-10(2)18/h3-7,14H,8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2GF0RZ3
					More data for this Ligand-Target Pair