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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.2
BDBM55362
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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)
BDBM55362
PNG
(1-(3,6-Dibromo-carbazol-9-yl)-3-[(tetrahydro-furan...)
Show SMILES OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
Show InChI InChI=1S/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
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UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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PCBioAssay
n/an/a 8.71E+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)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM55362
PNG
(1-(3,6-Dibromo-carbazol-9-yl)-3-[(tetrahydro-furan...)
Show SMILES OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
Show InChI InChI=1S/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 8.71E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM55362
PNG
(1-(3,6-Dibromo-carbazol-9-yl)-3-[(tetrahydro-furan...)
Show SMILES OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
Show InChI InChI=1S/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

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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
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM55362
PNG
(1-(3,6-Dibromo-carbazol-9-yl)-3-[(tetrahydro-furan...)
Show SMILES OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
Show InChI InChI=1S/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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PCBioAssay
n/an/a 4.47E+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: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM55362
PNG
(1-(3,6-Dibromo-carbazol-9-yl)-3-[(tetrahydro-furan...)
Show SMILES OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
Show InChI InChI=1S/C20H22Br2N2O2/c21-13-3-5-19-17(8-13)18-9-14(22)4-6-20(18)24(19)12-15(25)10-23-11-16-2-1-7-26-16/h3-6,8-9,15-16,23,25H,1-2,7,10-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 7.22E+3n/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