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SMILES: C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1

InChI Key: InChIKey=KCPBIJRLUJKCAR-MNPLYOLFSA-N

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 = 50633   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50633
PNG
(4-Methyl-N-{5-[(E)-2-methyl-3-phenyl-prop-2-en-(Z)...)
Show SMILES C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C20H18N2O3S3/c1-14-8-10-17(11-9-14)28(24,25)21-22-19(23)18(27-20(22)26)13-15(2)12-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b15-12+,18-13-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 5.52E+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
M1 family aminopeptidase


(Plasmodium falciparum (isolate FcB1 / Columbia))
BDBM50633
PNG
(4-Methyl-N-{5-[(E)-2-methyl-3-phenyl-prop-2-en-(Z)...)
Show SMILES C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C20H18N2O3S3/c1-14-8-10-17(11-9-14)28(24,25)21-22-19(23)18(27-20(22)26)13-15(2)12-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b15-12+,18-13-
PDB
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KEGG

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n/an/a 6.40E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27H1H0J
More data for this
Ligand-Target Pair
Sentrin-specific protease 6


(Homo sapiens (Human))
BDBM50633
PNG
(4-Methyl-N-{5-[(E)-2-methyl-3-phenyl-prop-2-en-(Z)...)
Show SMILES C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C20H18N2O3S3/c1-14-8-10-17(11-9-14)28(24,25)21-22-19(23)18(27-20(22)26)13-15(2)12-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b15-12+,18-13-
KEGG

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n/an/a 3.12E+3n/an/an/an/an/an/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/Q27H1H10
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50633
PNG
(4-Methyl-N-{5-[(E)-2-methyl-3-phenyl-prop-2-en-(Z)...)
Show SMILES C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C20H18N2O3S3/c1-14-8-10-17(11-9-14)28(24,25)21-22-19(23)18(27-20(22)26)13-15(2)12-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b15-12+,18-13-
PDB
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NCI pathway
Reactome pathway
KEGG

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n/an/a 1.29E+4n/an/an/an/an/an/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/Q2RJ4GZT
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM50633
PNG
(4-Methyl-N-{5-[(E)-2-methyl-3-phenyl-prop-2-en-(Z)...)
Show SMILES C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C20H18N2O3S3/c1-14-8-10-17(11-9-14)28(24,25)21-22-19(23)18(27-20(22)26)13-15(2)12-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b15-12+,18-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/a 3.94E+3n/an/an/an/an/an/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/Q2MS3R7H
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM50633
PNG
(4-Methyl-N-{5-[(E)-2-methyl-3-phenyl-prop-2-en-(Z)...)
Show SMILES C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C20H18N2O3S3/c1-14-8-10-17(11-9-14)28(24,25)21-22-19(23)18(27-20(22)26)13-15(2)12-16-6-4-3-5-7-16/h3-13,21H,1-2H3/b15-12+,18-13-
PDB
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KEGG

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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