BDBM47682 MLS000516682::N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide::N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]thiophene-2-carboxamide::N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide::SMR000342815::cid_2365274
SMILES: COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
InChI Key: InChIKey=HFIPUNBOEBEEST-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
glutathione S-transferase (Homo sapiens (Human)) | BDBM47682 (MLS000516682 | N-[[4-(3,4-dimethoxyphenyl)-1,3-thi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
streptokinase A precursor (Streptococcus pyogenes M1 GAS) | BDBM47682 (MLS000516682 | N-[[4-(3,4-dimethoxyphenyl)-1,3-thi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | 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 | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM47682 (MLS000516682 | N-[[4-(3,4-dimethoxyphenyl)-1,3-thi...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 3.33E+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: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
More data for this Ligand-Target Pair |