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BDBM57053 MLS000068601::N-(4-Bromo-phenyl)-2-(3-cyano-4-methyl-6-oxo-1,6-dihydro-pyridin-2-ylsulfanyl)-acetamide::N-(4-bromophenyl)-2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanamide::N-(4-bromophenyl)-2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetamide::N-(4-bromophenyl)-2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetamide::N-(4-bromophenyl)-2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetamide::SMR000122935::cid_1069285

SMILES: Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N

InChI Key: InChIKey=GJQRWYHEWWJLLL-UHFFFAOYSA-N

Data: 2 IC50  3 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 5 hits for monomerid = 57053   
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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM57053
PNG
(MLS000068601 | N-(4-Bromo-phenyl)-2-(3-cyano-4-met...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
Show InChI InChI=1S/C15H12BrN3O2S/c1-9-6-13(20)19-15(12(9)7-17)22-8-14(21)18-11-4-2-10(16)3-5-11/h2-6H,8H2,1H3,(H,18,21)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PCBioAssay
n/an/a 1.48E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57053
PNG
(MLS000068601 | N-(4-Bromo-phenyl)-2-(3-cyano-4-met...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
Show InChI InChI=1S/C15H12BrN3O2S/c1-9-6-13(20)19-15(12(9)7-17)22-8-14(21)18-11-4-2-10(16)3-5-11/h2-6H,8H2,1H3,(H,18,21)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM57053
PNG
(MLS000068601 | N-(4-Bromo-phenyl)-2-(3-cyano-4-met...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
Show InChI InChI=1S/C15H12BrN3O2S/c1-9-6-13(20)19-15(12(9)7-17)22-8-14(21)18-11-4-2-10(16)3-5-11/h2-6H,8H2,1H3,(H,18,21)(H,19,20)
KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/a 1.54E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM57053
PNG
(MLS000068601 | N-(4-Bromo-phenyl)-2-(3-cyano-4-met...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
Show InChI InChI=1S/C15H12BrN3O2S/c1-9-6-13(20)19-15(12(9)7-17)22-8-14(21)18-11-4-2-10(16)3-5-11/h2-6H,8H2,1H3,(H,18,21)(H,19,20)
KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 8.83E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM57053
PNG
(MLS000068601 | N-(4-Bromo-phenyl)-2-(3-cyano-4-met...)
Show SMILES Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
Show InChI InChI=1S/C15H12BrN3O2S/c1-9-6-13(20)19-15(12(9)7-17)22-8-14(21)18-11-4-2-10(16)3-5-11/h2-6H,8H2,1H3,(H,18,21)(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair