Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 288.2 BDBM58233Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitochondrial import inner membrane translocase subunit TIM23 (Saccharomyces cerevisiae S288c)	BDBM58233 (2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)ani...) Show SMILES NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4| Show InChI InChI=1S/C10H7F3N4OS/c11-10(12,13)18-7-3-1-6(2-4-7)16-17-8(5-14)9(15)19/h1-4,16H,(H2,15,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.31E+3	n/a	n/a	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, CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q26D5RGW
					More data for this Ligand-Target Pair
Mitochondrial import inner membrane translocase subunit TIM10 (Saccharomyces cerevisiae S288c)	BDBM58233 (2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)ani...) Show SMILES NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4| Show InChI InChI=1S/C10H7F3N4OS/c11-10(12,13)18-7-3-1-6(2-4-7)16-17-8(5-14)9(15)19/h1-4,16H,(H2,15,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.24E+3	n/a	n/a	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, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM58233 (2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)ani...) Show SMILES NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4| Show InChI InChI=1S/C10H7F3N4OS/c11-10(12,13)18-7-3-1-6(2-4-7)16-17-8(5-14)9(15)19/h1-4,16H,(H2,15,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.54E+4	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2251GM6
					More data for this Ligand-Target Pair
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM58233 (2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)ani...) Show SMILES NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4| Show InChI InChI=1S/C10H7F3N4OS/c11-10(12,13)18-7-3-1-6(2-4-7)16-17-8(5-14)9(15)19/h1-4,16H,(H2,15,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM58233 (2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)ani...) Show SMILES NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4| Show InChI InChI=1S/C10H7F3N4OS/c11-10(12,13)18-7-3-1-6(2-4-7)16-17-8(5-14)9(15)19/h1-4,16H,(H2,15,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.33E+4	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SQ8XVD
					More data for this Ligand-Target Pair