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PubChem AID 2773

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
NADPH oxidase 1


(Homo sapiens)
BDBM67146
PNG
((7-amino-10-methyl-3-phenothiazinyl)-phenylmethano...)
Show SMILES CN1c2ccc(N)cc2Sc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16N2OS/c1-22-16-9-7-14(20(23)13-5-3-2-4-6-13)11-18(16)24-19-12-15(21)8-10-17(19)22/h2-12H,21H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 201n/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/Q2R78CPD
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67145
PNG
((4-azidophenyl)-(7-bromanyl-10-methyl-phenothiazin...)
Show SMILES CN1c2ccc(Br)cc2Sc2cc(ccc12)C(=O)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C20H13BrN4OS/c1-25-16-8-4-13(20(26)12-2-6-15(7-3-12)23-24-22)10-18(16)27-19-11-14(21)5-9-17(19)25/h2-11H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.37E+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/Q2R78CPD
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67142
PNG
((10-methyl-3-phenothiazinyl)-phenylmethanone | (10...)
Show SMILES CN1c2ccccc2Sc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H15NOS/c1-21-16-9-5-6-10-18(16)23-19-13-15(11-12-17(19)21)20(22)14-7-3-2-4-8-14/h2-13H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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/Q2R78CPD
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67144
PNG
((4-azidophenyl)-(10-methyl-3-phenothiazinyl)methan...)
Show SMILES CN1c2ccccc2Sc2cc(ccc12)C(=O)c1ccc(cc1)N=[N+]=[N-]
Show InChI InChI=1S/C20H14N4OS/c1-24-16-4-2-3-5-18(16)26-19-12-14(8-11-17(19)24)20(25)13-6-9-15(10-7-13)22-23-21/h2-12H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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/Q2R78CPD
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67143
PNG
((7-bromanyl-10-methyl-phenothiazin-3-yl)-phenyl-me...)
Show SMILES CN1c2ccc(Br)cc2Sc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H14BrNOS/c1-22-16-9-7-14(20(23)13-5-3-2-4-6-13)11-18(16)24-19-12-15(21)8-10-17(19)22/h2-12H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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/Q2R78CPD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%