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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

Data: 1 IC50  2 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 3 hits for monomerid = 47682   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
glutathione S-transferase


(Homo sapiens (Human))
BDBM47682
PNG
(MLS000516682 | N-[[4-(3,4-dimethoxyphenyl)-1,3-thi...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
Show InChI InChI=1S/C17H15N3O3S3/c1-22-12-6-5-10(8-13(12)23-2)11-9-26-17(18-11)20-16(24)19-15(21)14-4-3-7-25-14/h3-9H,1-2H3,(H2,18,19,20,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.33E+3n/an/an/an/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
PNG
(MLS000516682 | N-[[4-(3,4-dimethoxyphenyl)-1,3-thi...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
Show InChI InChI=1S/C17H15N3O3S3/c1-22-12-6-5-10(8-13(12)23-2)11-9-26-17(18-11)20-16(24)19-15(21)14-4-3-7-25-14/h3-9H,1-2H3,(H2,18,19,20,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/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
PNG
(MLS000516682 | N-[[4-(3,4-dimethoxyphenyl)-1,3-thi...)
Show SMILES COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
Show InChI InChI=1S/C17H15N3O3S3/c1-22-12-6-5-10(8-13(12)23-2)11-9-26-17(18-11)20-16(24)19-15(21)14-4-3-7-25-14/h3-9H,1-2H3,(H2,18,19,20,21,24)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.33E+3n/an/an/an/an/an/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