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2 similar compounds to monomer 70940

Compile data set for download or QSAR
Wt: 484.6
BDBM68142
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Wt: 508.6
BDBM79031
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 68142,79031   
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68142
PNG
(2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]...)
Show SMILES CCN(CC)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O
Show InChI InChI=1S/C24H25FN4O2S2/c1-3-28(4-2)13-14-29-23(31)22-21(18-7-5-6-8-19(18)33-22)27-24(29)32-15-20(30)26-17-11-9-16(25)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,26,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/a 6.70E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79031
PNG
(2-[[4-keto-3-(3-pyrrolidinopropyl)benzothiopheno[3...)
Show SMILES COc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)cc1
Show InChI InChI=1S/C26H28N4O3S2/c1-33-19-11-9-18(10-12-19)27-22(31)17-34-26-28-23-20-7-2-3-8-21(20)35-24(23)25(32)30(26)16-6-15-29-13-4-5-14-29/h2-3,7-12H,4-6,13-17H2,1H3,(H,27,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
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 (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM68142
PNG
(2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]...)
Show SMILES CCN(CC)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O
Show InChI InChI=1S/C24H25FN4O2S2/c1-3-28(4-2)13-14-29-23(31)22-21(18-7-5-6-8-19(18)33-22)27-24(29)32-15-20(30)26-17-11-9-16(25)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,26,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+4n/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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68142
PNG
(2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]...)
Show SMILES CCN(CC)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O
Show InChI InChI=1S/C24H25FN4O2S2/c1-3-28(4-2)13-14-29-23(31)22-21(18-7-5-6-8-19(18)33-22)27-24(29)32-15-20(30)26-17-11-9-16(25)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,26,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.70E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair