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Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 8376   
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
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244076
PNG
(US9428478, TG6-199)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C20H21N3O3/c1-26-17-5-2-15(3-6-17)22-8-10-23(11-9-22)20(25)19-13-14-12-16(24)4-7-18(14)21-19/h2-7,12-13,21,24H,8-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244067
PNG
(US9428478, TG6-120-4)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-15(24)16-2-4-17(5-3-16)21-14-20(26)23-12-10-22(11-13-23)18-6-8-19(25)9-7-18/h2-9,21,25H,10-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244061
PNG
(US9428478, TG6-144-2)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C20H24N4O2/c1-15(25)16-2-6-18(7-3-16)22-14-20(26)24-12-10-23(11-13-24)19-8-4-17(21)5-9-19/h2-9,22H,10-14,21H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244065
PNG
(US9428478, TG2-171-1)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2O)cc1
Show InChI InChI=1S/C20H23N3O3/c1-15(24)16-6-8-17(9-7-16)21-14-20(26)23-12-10-22(11-13-23)18-4-2-3-5-19(18)25/h2-9,21,25H,10-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244067
PNG
(US9428478, TG6-120-4)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-15(24)16-2-4-17(5-3-16)21-14-20(26)23-12-10-22(11-13-23)18-6-8-19(25)9-7-18/h2-9,21,25H,10-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244061
PNG
(US9428478, TG6-144-2)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C20H24N4O2/c1-15(25)16-2-6-18(7-3-16)22-14-20(26)24-12-10-23(11-13-24)19-8-4-17(21)5-9-19/h2-9,22H,10-14,21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244079
PNG
(US9428478, TG6-205-2)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N3O3/c21-20(22,23)29-16-4-1-14(2-5-16)25-7-9-26(10-8-25)19(28)18-12-13-11-15(27)3-6-17(13)24-18/h1-6,11-12,24,27H,7-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244081
PNG
(US9428478, TG6-222)
Show SMILES COC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H23N3O4/c1-28-18-6-4-17(5-7-18)24-9-11-25(12-10-24)21(26)20-14-16-13-15(22(27)29-2)3-8-19(16)23-20/h3-8,13-14,23H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244069
PNG
(US9428478, TG6-161)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C22H23N3O3/c1-15(26)16-3-8-20-17(13-16)14-21(23-20)22(27)25-11-9-24(10-12-25)18-4-6-19(28-2)7-5-18/h3-8,13-14,23H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244054
PNG
(US9428478, TG2-150)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C21H25N3O3/c1-16(25)17-3-5-18(6-4-17)22-15-21(26)24-13-11-23(12-14-24)19-7-9-20(27-2)10-8-19/h3-10,22H,11-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244082
PNG
(US9428478, TG6-223)
Show SMILES CNC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H24N4O3/c1-23-21(27)15-3-8-19-16(13-15)14-20(24-19)22(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13-14,24H,9-12H2,1-2H3,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244080
PNG
(US9428478, TG6-225)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)22-10-12-23(13-11-22)20(24)19-14-15-4-2-3-5-18(15)21-19/h2-9,14,21H,10-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244070
PNG
(US9428478, TG6-179-2)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C21H23N3O3/c1-26-17-5-3-16(4-6-17)23-9-11-24(12-10-23)21(25)20-14-15-13-18(27-2)7-8-19(15)22-20/h3-8,13-14,22H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244065
PNG
(US9428478, TG2-171-1)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2O)cc1
Show InChI InChI=1S/C20H23N3O3/c1-15(24)16-6-8-17(9-7-16)21-14-20(26)23-12-10-22(11-13-23)18-4-2-3-5-19(18)25/h2-9,21,25H,10-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244057
PNG
(US9428478, TG6-153)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H27N3O3/c1-3-28-21-10-8-20(9-11-21)24-12-14-25(15-13-24)22(27)16-23-19-6-4-18(5-7-19)17(2)26/h4-11,23H,3,12-16H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244076
PNG
(US9428478, TG6-199)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C20H21N3O3/c1-26-17-5-2-15(3-6-17)22-8-10-23(11-9-22)20(25)19-13-14-12-16(24)4-7-18(14)21-19/h2-7,12-13,21,24H,8-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244086
PNG
(US9428478, TG6-236)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-28-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-15-12-14(21(26)27)2-7-18(15)22-19/h2-7,12-13,22H,8-11H2,1H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244058
PNG
(US9428478, TG6-158)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(F)c(F)c1
Show InChI InChI=1S/C19H21F2N3O2/c1-26-16-5-3-15(4-6-16)23-8-10-24(11-9-23)19(25)13-22-14-2-7-17(20)18(21)12-14/h2-7,12,22H,8-11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244055
PNG
(US9428478, TG6-140)
Show SMILES COc1ccc(cc1)N1CCN(CC1C)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H27N3O3/c1-16-15-24(12-13-25(16)20-8-10-21(28-3)11-9-20)22(27)14-23-19-6-4-18(5-7-19)17(2)26/h4-11,16,23H,12-15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244077
PNG
(US9428478, TG6-200)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2ccc(F)cc2c1C
Show InChI InChI=1S/C21H22FN3O2/c1-14-18-13-15(22)3-8-19(18)23-20(14)21(26)25-11-9-24(10-12-25)16-4-6-17(27-2)7-5-16/h3-8,13,23H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244071
PNG
(US9428478, TG6-179-3)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C19H19FN4O2/c1-26-15-5-3-14(4-6-15)23-8-10-24(11-9-23)19(25)18-21-16-7-2-13(20)12-17(16)22-18/h2-7,12H,8-11H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244083
PNG
(US9428478, TG6-227)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H22N4O3/c1-28-17-5-3-16(4-6-17)24-8-10-25(11-9-24)21(27)19-13-15-12-14(20(22)26)2-7-18(15)23-19/h2-7,12-13,23H,8-11H2,1H3,(H2,22,26)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244056
PNG
(US9428478, TG6-149)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N3O2/c1-17(2)18-4-6-19(7-5-18)23-16-22(26)25-14-12-24(13-15-25)20-8-10-21(27-3)11-9-20/h4-11,17,23H,12-16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244072
PNG
(US9428478, TG6-181)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
Show InChI InChI=1S/C22H25N3O4/c1-27-17-6-4-16(5-7-17)24-8-10-25(11-9-24)22(26)19-12-15-13-20(28-2)21(29-3)14-18(15)23-19/h4-7,12-14,23H,8-11H2,1-3H3
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UniChem
US Patent
n/an/a 8.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244087
PNG
(US9428478, TG6-238)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H25N3O3/c1-3-29-20-7-5-19(6-8-20)25-10-12-26(13-11-25)23(28)22-15-18-14-17(16(2)27)4-9-21(18)24-22/h4-9,14-15,24H,3,10-13H2,1-2H3
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UniChem
US Patent
n/an/a 8.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244089
PNG
(US9428478, TG6-242)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O2/c1-2-27-16-6-4-15(5-7-16)24-9-11-25(12-10-24)20(26)19-22-17-8-3-14(21)13-18(17)23-19/h3-8,13H,2,9-12H2,1H3,(H,22,23)
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US Patent
n/an/a 8.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244060
PNG
(US9428478, TG6-143-2)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CN(CC(=O)N1CCN(CC1)c1ccc(OC)cc1)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C35H45N5O4/c1-27(2)28-5-7-31(8-6-28)40(25-34(41)38-21-17-36(18-22-38)29-9-13-32(43-3)14-10-29)26-35(42)39-23-19-37(20-24-39)30-11-15-33(44-4)16-12-30/h5-16,27H,17-26H2,1-4H3
PDB

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GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244075
PNG
(US9428478, TG6-190)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2ccc(cc2c1C)C(C)=O
Show InChI InChI=1S/C23H25N3O3/c1-15-20-14-17(16(2)27)4-9-21(20)24-22(15)23(28)26-12-10-25(11-13-26)18-5-7-19(29-3)8-6-18/h4-9,14,24H,10-13H2,1-3H3
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UniChem
US Patent
n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244084
PNG
(US9428478, TG6-228)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C20H22N4O3/c1-26-15-5-3-14(4-6-15)23-9-11-24(12-10-23)20(25)19-21-17-8-7-16(27-2)13-18(17)22-19/h3-8,13H,9-12H2,1-2H3,(H,21,22)
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UniChem
US Patent
n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244085
PNG
(US9428478, TG6-235)
Show SMILES COC(=O)C1CN(CCN1C(=O)c1cc2cc(F)ccc2n1)c1ccc(OC)cc1
PDB

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n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244088
PNG
(US9428478, TG6-239)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2cc(ccc2c1O)C(C)=O
Show InChI InChI=1S/C23H23N3O4/c1-15(27)16-3-8-19-21(13-16)24-14-20(22(19)28)23(29)26-11-9-25(10-12-26)17-4-6-18(30-2)7-5-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)
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n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244091
PNG
(US9428478, TG6-251-2)
Show SMILES CC(C)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C24H27N3O3/c1-16(2)30-21-7-5-20(6-8-21)26-10-12-27(13-11-26)24(29)23-15-19-14-18(17(3)28)4-9-22(19)25-23/h4-9,14-16,25H,10-13H2,1-3H3
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n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244092
PNG
(US9428478, TG6-251-1)
Show SMILES CC(C)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H25N5O3/c1-14(2)30-17-6-4-16(5-7-17)26-9-11-27(12-10-26)22(29)21-24-18-8-3-15(20(23)28)13-19(18)25-21/h3-8,13-14H,9-12H2,1-2H3,(H2,23,28)(H,24,25)
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US Patent
n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244059
PNG
(US9428478, TG6-167-2)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1cccc(F)c1
Show InChI InChI=1S/C19H22FN3O2/c1-25-18-7-5-17(6-8-18)22-9-11-23(12-10-22)19(24)14-21-16-4-2-3-15(20)13-16/h2-8,13,21H,9-12,14H2,1H3
PDB

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n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244064
PNG
(US9428478, TG6-197)
Show SMILES COc1ccc(cc1OC)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H27N3O4/c1-16(26)17-4-6-18(7-5-17)23-15-22(27)25-12-10-24(11-13-25)19-8-9-20(28-2)21(14-19)29-3/h4-9,14,23H,10-13,15H2,1-3H3
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UniChem
US Patent
n/an/a 1.30E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244073
PNG
(US9428478, TG6-191)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1O
Show InChI InChI=1S/C21H20FN3O3/c1-28-16-5-3-15(4-6-16)24-8-10-25(11-9-24)21(27)18-13-23-19-7-2-14(22)12-17(19)20(18)26/h2-7,12-13H,8-11H2,1H3,(H,23,26)
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US Patent
n/an/a 1.50E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244079
PNG
(US9428478, TG6-205-2)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N3O3/c21-20(22,23)29-16-4-1-14(2-5-16)25-7-9-26(10-8-25)19(28)18-12-13-11-15(27)3-6-17(13)24-18/h1-6,11-12,24,27H,7-10H2
PDB

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n/an/a 1.50E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244093
PNG
(US9428478, TG6-254-1)
Show SMILES COc1ccc(cc1F)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H21FN4O3/c1-29-19-5-3-15(12-16(19)22)25-6-8-26(9-7-25)21(28)18-11-14-10-13(20(23)27)2-4-17(14)24-18/h2-5,10-12,24H,6-9H2,1H3,(H2,23,27)
PDB

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US Patent
n/an/a 2.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244062
PNG
(US9428478, TG6-167-1)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(F)cc1
Show InChI InChI=1S/C19H22FN3O2/c1-25-18-8-6-17(7-9-18)22-10-12-23(13-11-22)19(24)14-21-16-4-2-15(20)3-5-16/h2-9,21H,10-14H2,1H3
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US Patent
n/an/a 3.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244090
PNG
(US9428478, TG6-252)
Show SMILES COc1ccc(cc1F)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C22H22FN3O3/c1-14(27)15-3-5-19-16(11-15)12-20(24-19)22(28)26-9-7-25(8-10-26)17-4-6-21(29-2)18(23)13-17/h3-6,11-13,24H,7-10H2,1-2H3
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US Patent
n/an/a 3.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244066
PNG
(US9428478, TG2-181-1)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2N)cc1
Show InChI InChI=1S/C20H24N4O2/c1-15(25)16-6-8-17(9-7-16)22-14-20(26)24-12-10-23(11-13-24)19-5-3-2-4-18(19)21/h2-9,22H,10-14,21H2,1H3
PDB

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US Patent
n/an/a 4.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244063
PNG
(US9428478, TG6-169)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccccc1F
Show InChI InChI=1S/C19H22FN3O2/c1-25-16-8-6-15(7-9-16)22-10-12-23(13-11-22)19(24)14-21-18-5-3-2-4-17(18)20/h2-9,21H,10-14H2,1H3
PDB

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UniChem
US Patent
n/an/a 4.50E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244074
PNG
(US9428478, TG6-179-1)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C20H20FN3O2/c1-26-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-14-12-15(21)2-7-18(14)22-19/h2-7,12-13,22H,8-11H2,1H3
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UniChem
US Patent
n/an/a 5.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244094
PNG
(US9428478, TG6-254-2)
Show SMILES CNC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)c(F)c1
Show InChI InChI=1S/C22H23FN4O3/c1-24-21(28)14-3-5-18-15(11-14)12-19(25-18)22(29)27-9-7-26(8-10-27)16-4-6-20(30-2)17(23)13-16/h3-6,11-13,25H,7-10H2,1-2H3,(H,24,28)
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US Patent
n/an/a 1.00E+10n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244086
PNG
(US9428478, TG6-236)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-28-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-15-12-14(21(26)27)2-7-18(15)22-19/h2-7,12-13,22H,8-11H2,1H3,(H,26,27)
PDB
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n/an/a>2.00E+10n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244087
PNG
(US9428478, TG6-238)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H25N3O3/c1-3-29-20-7-5-19(6-8-20)25-10-12-26(13-11-25)23(28)22-15-18-14-17(16(2)27)4-9-21(18)24-22/h4-9,14-15,24H,3,10-13H2,1-2H3
PDB
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n/an/a 2.00E+10n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244088
PNG
(US9428478, TG6-239)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2cc(ccc2c1O)C(C)=O
Show InChI InChI=1S/C23H23N3O4/c1-15(27)16-3-8-19-21(13-16)24-14-20(22(19)28)23(29)26-11-9-25(10-12-26)17-4-6-18(30-2)7-5-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+10n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244085
PNG
(US9428478, TG6-235)
Show SMILES COC(=O)C1CN(CCN1C(=O)c1cc2cc(F)ccc2n1)c1ccc(OC)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+10n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244084
PNG
(US9428478, TG6-228)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C20H22N4O3/c1-26-15-5-3-14(4-6-15)23-9-11-24(12-10-23)20(25)19-21-17-8-7-16(27-2)13-18(17)22-19/h3-8,13H,9-12H2,1-2H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+10n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244083
PNG
(US9428478, TG6-227)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H22N4O3/c1-28-17-5-3-16(4-6-17)24-8-10-25(11-9-24)21(27)19-13-15-12-14(20(22)26)2-7-18(15)23-19/h2-7,12-13,23H,8-11H2,1H3,(H2,22,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+10n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
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