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SMILES: CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1

InChI Key: InChIKey=RYIBMIRKLHXWMK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 51271   

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
Glycoprotein 42 (Human herpesvirus 4 type 2)	BDBM51271 ((9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5...) Show SMILES CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1 Show InChI InChI=1S/C21H17N3O2S3/c1-27-21-23-17-15-12-8-5-9-13(12)16(11-6-3-2-4-7-11)22-19(15)29-18(17)20(24-21)28-10-14(25)26/h2-4,6-7H,5,8-10H2,1H3,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 6 (Rattus norvegicus)	BDBM51271 ((9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5...) Show SMILES CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1 Show InChI InChI=1S/C21H17N3O2S3/c1-27-21-23-17-15-12-8-5-9-13(12)16(11-6-3-2-4-7-11)22-19(15)29-18(17)20(24-21)28-10-14(25)26/h2-4,6-7H,5,8-10H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	9.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-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 (2009) BindingDB Entry DOI: 10.7270/Q2W66J6B
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM51271 ((9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5...) Show SMILES CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1 Show InChI InChI=1S/C21H17N3O2S3/c1-27-21-23-17-15-12-8-5-9-13(12)16(11-6-3-2-4-7-11)22-19(15)29-18(17)20(24-21)28-10-14(25)26/h2-4,6-7H,5,8-10H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.06E+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, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2445JXV
					More data for this Ligand-Target Pair
Streptokinase A (Streptococcus pyogenes M1 GAS)	BDBM51271 ((9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5...) Show SMILES CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1 Show InChI InChI=1S/C21H17N3O2S3/c1-27-21-23-17-15-12-8-5-9-13(12)16(11-6-3-2-4-7-11)22-19(15)29-18(17)20(24-21)28-10-14(25)26/h2-4,6-7H,5,8-10H2,1H3,(H,25,26)	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	7.33E+3	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
Dual specificity protein phosphatase 3 (Homo sapiens (Human))	BDBM51271 ((9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5...) Show SMILES CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1 Show InChI InChI=1S/C21H17N3O2S3/c1-27-21-23-17-15-12-8-5-9-13(12)16(11-6-3-2-4-7-11)22-19(15)29-18(17)20(24-21)28-10-14(25)26/h2-4,6-7H,5,8-10H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.72E+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, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29G5K79
					More data for this Ligand-Target Pair