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3 similar compounds to monomer 66141

Compile data set for download or QSAR
Wt: 322.2
BDBM44136
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Wt: 350.2
BDBM54325
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Wt: 350.2
BDBM77589
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 44136,54325,77589   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44136
PNG
(MLS000709180 | N-[2-(2-fluorophenyl)-1,3-benzoxazo...)
Show SMILES Fc1ccccc1-c1nc2cc(NC(=O)c3ccco3)ccc2o1
Show InChI InChI=1S/C18H11FN2O3/c19-13-5-2-1-4-12(13)18-21-14-10-11(7-8-15(14)24-18)20-17(22)16-6-3-9-23-16/h1-10H,(H,20,22)
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n/an/an/an/a 6.65E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM44136
PNG
(MLS000709180 | N-[2-(2-fluorophenyl)-1,3-benzoxazo...)
Show SMILES Fc1ccccc1-c1nc2cc(NC(=O)c3ccco3)ccc2o1
Show InChI InChI=1S/C18H11FN2O3/c19-13-5-2-1-4-12(13)18-21-14-10-11(7-8-15(14)24-18)20-17(22)16-6-3-9-23-16/h1-10H,(H,20,22)
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n/an/an/an/a 8.27E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain


(Escherichia coli str. K-12 substr. MG1655)
BDBM77589
PNG
(5-Nitro-furan-2-carboxylic acid (2-pyridin-4-yl-be...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C17H10N4O5/c22-16(14-3-4-15(25-14)21(23)24)19-11-1-2-13-12(9-11)20-17(26-13)10-5-7-18-8-6-10/h1-9H,(H,19,22)
PDB
MMDB

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n/an/a>1.19E+5n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TB15CW
More data for this
Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1


(Homo sapiens (Human))
BDBM54325
PNG
(5-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)fura...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1cccnc1
Show InChI InChI=1S/C17H10N4O5/c22-16(14-5-6-15(25-14)21(23)24)19-11-3-4-13-12(8-11)20-17(26-13)10-2-1-7-18-9-10/h1-9H,(H,19,22)
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n/an/an/an/a 7.26E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2CN72C0
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM54325
PNG
(5-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)fura...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1cccnc1
Show InChI InChI=1S/C17H10N4O5/c22-16(14-5-6-15(25-14)21(23)24)19-11-3-4-13-12(8-11)20-17(26-13)10-2-1-7-18-9-10/h1-9H,(H,19,22)
PDB
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n/an/a 4.02E+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 2


(Homo sapiens (Human))
BDBM54325
PNG
(5-nitro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)fura...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1cccnc1
Show InChI InChI=1S/C17H10N4O5/c22-16(14-5-6-15(25-14)21(23)24)19-11-3-4-13-12(8-11)20-17(26-13)10-2-1-7-18-9-10/h1-9H,(H,19,22)
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n/an/a 7.39E+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