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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'NADPH oxidase 1' and Ligand = 'BDBM65842'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NADPH oxidase 1


(Homo sapiens (Human))
BDBM65842
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN4S2/c1-9-8-10(16)2-7-13(9)19-15(23)21-20-14(22)18-12-5-3-11(17)4-6-12/h2-8H,1H3,(H2,18,20,22)(H2,19,21,23)
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antibodypedia
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PC cid
PC sid
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PCBioAssay
n/an/a 670n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2XP73CQ
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM65842
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN4S2/c1-9-8-10(16)2-7-13(9)19-15(23)21-20-14(22)18-12-5-3-11(17)4-6-12/h2-8H,1H3,(H2,18,20,22)(H2,19,21,23)
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PCBioAssay
n/an/a 960n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SX6BN0
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM65842
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN4S2/c1-9-8-10(16)2-7-13(9)19-15(23)21-20-14(22)18-12-5-3-11(17)4-6-12/h2-8H,1H3,(H2,18,20,22)(H2,19,21,23)
Reactome pathway
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UniProtKB/SwissProt

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n/an/a 960n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RF5SGM
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM65842
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN4S2/c1-9-8-10(16)2-7-13(9)19-15(23)21-20-14(22)18-12-5-3-11(17)4-6-12/h2-8H,1H3,(H2,18,20,22)(H2,19,21,23)
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n/an/a 3.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JD4V7Q
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM65842
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN4S2/c1-9-8-10(16)2-7-13(9)19-15(23)21-20-14(22)18-12-5-3-11(17)4-6-12/h2-8H,1H3,(H2,18,20,22)(H2,19,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GX490H
More data for this
Ligand-Target Pair