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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 291.3
BDBM54371
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 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
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
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n/an/a 1.56E+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/Q2CJ8BXT
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
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n/an/a 2.53E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2


(Homo sapiens (Human))
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
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n/an/a 5.04E+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/Q23R0R8T
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
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MMDB

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n/an/a 6.52E+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/Q25M6443
More data for this
Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 1


(Homo sapiens (Human))
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
PDB
MMDB

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n/an/an/an/a 2.00E+4n/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/Q2CN72C0
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
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n/an/an/an/a>3.54E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2251GM6
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM54371
PNG
(2-Hydroxy-benzoic acid [1-quinolin-8-yl-meth-(E)-y...)
Show SMILES Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
Show InChI InChI=1S/C17H13N3O2/c21-15-9-2-1-8-14(15)17(22)20-19-11-13-6-3-5-12-7-4-10-18-16(12)13/h1-11,21H,(H,20,22)
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n/an/an/an/a>3.54E+4n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2SQ8XVD
More data for this
Ligand-Target Pair