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4 similar compounds to monomer 38340

Compile data set for download or QSAR
Wt: 427.4
BDBM51241
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Wt: 501.5
BDBM52308
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Wt: 457.4
BDBM74601
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Wt: 455.4
BDBM114677
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 51241,52308,74601,114677   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM51241
PNG
(MLS000332169 | N-[3-Cyano-1-(3-methoxy-propyl)-8-m...)
Show SMILES COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
Show InChI InChI=1S/C24H21N5O3/c1-16-8-6-11-29-20(16)26-22-19(24(29)31)14-18(15-25)21(28(22)12-7-13-32-2)27-23(30)17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13H2,1-2H3/b27-21+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.78E+3n/an/an/an/an/an/a



Emory University

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
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52308
PNG
(MLS000557953 | N-[3-Cyano-1-(3-ethoxy-propyl)-8-me...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H27N5O5/c1-5-37-13-7-12-31-24(30-26(33)18-9-10-21(35-3)22(15-18)36-4)19(16-28)14-20-25(31)29-23-17(2)8-6-11-32(23)27(20)34/h6,8-11,14-15H,5,7,12-13H2,1-4H3/b30-24+
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
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PC cid
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UniChem

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n/an/an/an/a 2.68E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52308
PNG
(MLS000557953 | N-[3-Cyano-1-(3-ethoxy-propyl)-8-me...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H27N5O5/c1-5-37-13-7-12-31-24(30-26(33)18-9-10-21(35-3)22(15-18)36-4)19(16-28)14-20-25(31)29-23-17(2)8-6-11-32(23)27(20)34/h6,8-11,14-15H,5,7,12-13H2,1-4H3/b30-24+
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 3.54E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51241
PNG
(MLS000332169 | N-[3-Cyano-1-(3-methoxy-propyl)-8-m...)
Show SMILES COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
Show InChI InChI=1S/C24H21N5O3/c1-16-8-6-11-29-20(16)26-22-19(24(29)31)14-18(15-25)21(28(22)12-7-13-32-2)27-23(30)17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13H2,1-2H3/b27-21+
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UniProtKB/TrEMBL

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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
protein artemis isoform a


(Homo sapiens (Human))
BDBM114677
PNG
(MLS000082295 | N-(1-butyl-3-cyano-10-methyl-5-oxid...)
Show SMILES CCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H21N5O4/c1-3-4-9-29-22(28-24(31)16-7-8-19-20(12-16)34-14-33-19)17(13-26)11-18-23(29)27-21-15(2)6-5-10-30(21)25(18)32/h5-8,10-12H,3-4,9,14H2,1-2H3/b28-22+
PDB

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UniProtKB/SwissProt

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n/an/a 2.00E+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 CA...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2MC8XP5
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM51241
PNG
(MLS000332169 | N-[3-Cyano-1-(3-methoxy-propyl)-8-m...)
Show SMILES COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
Show InChI InChI=1S/C24H21N5O3/c1-16-8-6-11-29-20(16)26-22-19(24(29)31)14-18(15-25)21(28(22)12-7-13-32-2)27-23(30)17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13H2,1-2H3/b27-21+
PDB
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UniProtKB/TrEMBL

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DrugBank
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UniChem

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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HT2MRM
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM51241
PNG
(MLS000332169 | N-[3-Cyano-1-(3-methoxy-propyl)-8-m...)
Show SMILES COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
Show InChI InChI=1S/C24H21N5O3/c1-16-8-6-11-29-20(16)26-22-19(24(29)31)14-18(15-25)21(28(22)12-7-13-32-2)27-23(30)17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13H2,1-2H3/b27-21+
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n/an/an/an/a>7.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM74601
PNG
(MLS000082297 | N-[3-cyano-1-(2-methoxyethyl)-10-me...)
Show SMILES COCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H19N5O5/c1-14-4-3-7-29-20(14)26-22-17(24(29)31)10-16(12-25)21(28(22)8-9-32-2)27-23(30)15-5-6-18-19(11-15)34-13-33-18/h3-7,10-11H,8-9,13H2,1-2H3/b27-21+
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Reactome pathway
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n/an/an/an/a 1.65E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM51241
PNG
(MLS000332169 | N-[3-Cyano-1-(3-methoxy-propyl)-8-m...)
Show SMILES COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
Show InChI InChI=1S/C24H21N5O3/c1-16-8-6-11-29-20(16)26-22-19(24(29)31)14-18(15-25)21(28(22)12-7-13-32-2)27-23(30)17-9-4-3-5-10-17/h3-6,8-11,14H,7,12-13H2,1-2H3/b27-21+
PDB
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UniProtKB/TrEMBL

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PC cid
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UniChem

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n/an/a>5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NG4P3G
More data for this
Ligand-Target Pair