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PubChem AID 2556

Compile data set for download or QSAR
Found 6 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)
BDBM65839
PNG
(1-(4-benzoxyphenyl)-3-[4-(dimethylamino)phenyl]ure...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H23N3O2/c1-25(2)20-12-8-18(9-13-20)23-22(26)24-19-10-14-21(15-11-19)27-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H2,23,24,26)
KEGG

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n/an/a 2.00E+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/Q2GX490H
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65840
PNG
(6,11-dihydroquinoxalino[2,3-b]quinoxaline | ML090 ...)
Show SMILES N1c2ccccc2Nc2nc3ccccc3nc12
Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)15-13-14(16-10)18-12-8-4-3-7-11(12)17-13/h1-8H,(H,15,17)(H,16,18)
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n/an/a 3.50E+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/Q2GX490H
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
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 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
NADPH oxidase 1


(Homo sapiens)
BDBM65838
PNG
((2-piperidin-1-ylphenyl) 3-chloranyl-1-benzothioph...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Oc1ccccc1N1CCCCC1
Show InChI InChI=1S/C20H18ClNO2S/c21-18-14-8-2-5-11-17(14)25-19(18)20(23)24-16-10-4-3-9-15(16)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-13H2
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n/an/a 1.11E+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
NADPH oxidase 1


(Homo sapiens)
BDBM65837
PNG
(4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2-m...)
Show SMILES COc1cc(ccc1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-26-19-14-17(12-13-18(19)25)22-23-20(15-8-4-2-5-9-15)21(24-22)16-10-6-3-7-11-16/h2-14,25H,1H3,(H,23,24)
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n/an/a 1.12E+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
NADPH oxidase 1


(Homo sapiens)
BDBM65841
PNG
(2-(trifluoromethyl)-10H-phenothiazine | SR-0100044...)
Show SMILES FC(F)(F)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H
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n/an/a 2.07E+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
* indicates data uncertainty>20%