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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with Target = 'cytochrome b-245 heavy chain'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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))
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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))
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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))
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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))
BDBM244085
PNG
(US9428478, TG6-235)
Show SMILES COC(=O)C1CN(CCN1C(=O)c1cc2cc(F)ccc2n1)c1ccc(OC)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
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)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
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