Found 130 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b-245 heavy chain' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359525
(CHEMBL1927146)Show InChI InChI=1S/C16H15ClN4O2/c17-10-4-1-2-5-12(10)21-16(23)15-11(19-21)8-14(22)20-7-3-6-18-9-13(15)20/h1-2,4-5,8,18-19H,3,6-7,9H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 365 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359522
(CHEMBL1927160)Show InChI InChI=1S/C15H12ClN3O3/c16-9-3-1-2-4-11(9)19-15(21)14-10(17-19)7-13(20)18-5-6-22-8-12(14)18/h1-4,7,17H,5-6,8H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 433 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359520
(CHEMBL1927158)Show SMILES COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O Show InChI InChI=1S/C23H23N5O3/c1-31-20-9-3-2-8-18(20)28-23(30)22-17(25-28)13-21(29)27-12-6-11-26(15-19(22)27)14-16-7-4-5-10-24-16/h2-5,7-10,13,25H,6,11-12,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359527
(CHEMBL1927148)Show SMILES COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O Show InChI InChI=1S/C24H24N4O3/c1-31-21-11-6-5-10-19(21)28-24(30)23-18(25-28)14-22(29)27-13-7-12-26(16-20(23)27)15-17-8-3-2-4-9-17/h2-6,8-11,14,25H,7,12-13,15-16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 645 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359533
(CHEMBL1927154)Show SMILES COc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1 Show InChI InChI=1S/C24H23ClN4O3/c1-32-17-9-7-16(8-10-17)14-27-11-4-12-28-21(15-27)23-19(13-22(28)30)26-29(24(23)31)20-6-3-2-5-18(20)25/h2-3,5-10,13,26H,4,11-12,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359521
(CHEMBL1927159)Show SMILES COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3OC)c2=O)c1 Show InChI InChI=1S/C25H26N4O4/c1-32-18-8-5-7-17(13-18)15-27-11-6-12-28-21(16-27)24-19(14-23(28)30)26-29(25(24)31)20-9-3-4-10-22(20)33-2/h3-5,7-10,13-14,26H,6,11-12,15-16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359534
(CHEMBL1927155)Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccoc4)Cc3c2c1=O Show InChI InChI=1S/C21H19ClN4O3/c22-15-4-1-2-5-17(15)26-21(28)20-16(23-26)10-19(27)25-8-3-7-24(12-18(20)25)11-14-6-9-29-13-14/h1-2,4-6,9-10,13,23H,3,7-8,11-12H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359519
(CHEMBL1927157)Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O Show InChI InChI=1S/C22H20ClN5O2/c23-16-7-1-2-8-18(16)28-22(30)21-17(25-28)12-20(29)27-11-5-10-26(14-19(21)27)13-15-6-3-4-9-24-15/h1-4,6-9,12,25H,5,10-11,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359529
(CHEMBL1927150)Show SMILES Clc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1 Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-6-3-5-15(11-16)13-27-9-4-10-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-8-2-1-7-17(19)25/h1-3,5-8,11-12,26H,4,9-10,13-14H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359528
(CHEMBL1927149)Show SMILES Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-7-2-1-6-15(16)13-27-10-5-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-9-4-3-8-17(19)25/h1-4,6-9,12,26H,5,10-11,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359532
(CHEMBL1927153)Show SMILES COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1 Show InChI InChI=1S/C24H23ClN4O3/c1-32-17-7-4-6-16(12-17)14-27-10-5-11-28-21(15-27)23-19(13-22(28)30)26-29(24(23)31)20-9-3-2-8-18(20)25/h2-4,6-9,12-13,26H,5,10-11,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359530
(CHEMBL1927151)Show SMILES Clc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1 Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-8-6-15(7-9-16)13-27-10-3-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-5-2-1-4-17(19)25/h1-2,4-9,12,26H,3,10-11,13-14H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359524
(CHEMBL1927145)Show SMILES CC(C)(C)OC(=O)N1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O Show InChI InChI=1S/C21H23ClN4O4/c1-21(2,3)30-20(29)24-9-6-10-25-16(12-24)18-14(11-17(25)27)23-26(19(18)28)15-8-5-4-7-13(15)22/h4-5,7-8,11,23H,6,9-10,12H2,1-3H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359523
(CHEMBL1927147)Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359518
(CHEMBL1927156)Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O Show InChI InChI=1S/C22H20ClN5O2/c23-16-6-1-2-7-18(16)28-22(30)21-17(25-28)11-20(29)27-10-4-9-26(14-19(21)27)13-15-5-3-8-24-12-15/h1-3,5-8,11-12,25H,4,9-10,13-14H2 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50330722
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12 Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3 | PDB
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| Article
PubMed
| 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex, S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human NOX2 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH |
J Med Chem 53: 7715-30 (2010)
Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359531
(CHEMBL1927152)Show SMILES COc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O Show InChI InChI=1S/C24H23ClN4O3/c1-32-21-10-5-2-7-16(21)14-27-11-6-12-28-20(15-27)23-18(13-22(28)30)26-29(24(23)31)19-9-4-3-8-17(19)25/h2-5,7-10,13,26H,6,11-12,14-15H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50359526
(CHEMBL1926690)Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCN(Cc4ccccc4)Cc3c2c1=O Show InChI InChI=1S/C22H19ClN4O2/c23-16-8-4-5-9-18(16)27-22(29)21-17(24-27)12-20(28)26-11-10-25(14-19(21)26)13-15-6-2-1-3-7-15/h1-9,12,24H,10-11,13-14H2 | PDB
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| Article
PubMed
| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex S.A.
Curated by ChEMBL
| Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex... |
Bioorg Med Chem 19: 6989-99 (2011)
Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50330688
(4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazo...)Show SMILES Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12 Show InChI InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3 | PDB
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CHEMBL
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| Article
PubMed
| 4.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genkyotex, S.A.
Curated by ChEMBL
| Assay Description
Inhibition of human NOX2 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH |
J Med Chem 53: 7715-30 (2010)
Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50497270
(CHEMBL3347551)Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccs1)c1c(Br)cccc21 |r,TLB:21:20:3.2:13.8,9:8:3.2:26.20,THB:14:13:3.2:26.20| Show InChI InChI=1S/C22H26BrNS/c1-14(2)11-18-21-20-16(8-5-9-17(20)23)19(12-22(21,3)4)24(18)13-15-7-6-10-25-15/h5-10,18-19,21H,1,11-13H2,2-4H3/t18-,19-,21-/m0/s1 | PDB
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| Article
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of lithium dodecyl sulphate-stimulated ROS generation preincu... |
Medchemcomm 4: 1085-1092 (2013)
Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50497271
(CHEMBL3347550)Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(Br)cccc21 |r,TLB:9:8:19.25:3.2,20:19:13.8:3.2,THB:14:13:19.25:3.2| Show InChI InChI=1S/C22H32BrN/c1-6-7-8-12-24-18(13-15(2)3)21-20-16(10-9-11-17(20)23)19(24)14-22(21,4)5/h9-11,18-19,21H,2,6-8,12-14H2,1,3-5H3/t18-,19-,21-/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of lithium dodecyl sulphate-stimulated ROS generation preincu... |
Medchemcomm 4: 1085-1092 (2013)
Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50218664
(CHEMBL5275943)Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCC)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C |t:38,40| Show InChI InChI=1S/C60H93N5O12/c1-11-13-26-45-54(70)39(8)48(67)28-18-15-19-29-50(37(6)23-17-14-16-22-36(5)49(68)34-51-40(9)53(69)41(10)60(77-51)38(7)31-43(12-2)55(71)63-60)76-59(75)46-27-21-30-65(64-46)58(74)47(33-42-24-20-25-44(66)32-42)61-57(73)52(35(3)4)62-56(45)72/h14-15,17-20,23-25,28,32,35-36,38-41,43,45-54,64,66-70H,11-13,16,21-22,26-27,29-31,33-34H2,1-10H3,(H,61,73)(H,62,72)(H,63,71)/b17-14+,19-15+,28-18+,37-23+/t36-,38-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Montana
Curated by ChEMBL
| Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu |
Bioorg Med Chem Lett 20: 1194-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.007 |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612720
(CHEMBL5279528)Show SMILES CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1 | PDB
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| | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612719
(CHEMBL5285816)Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1 | PDB
UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612714
(CHEMBL5279646)Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)CCCO | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM318936
(US10173988, Compound A)Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28) | PDB
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| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114645
BindingDB Entry DOI: 10.7270/Q2SQ94GB |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612709
(CHEMBL5282245)Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)C | PDB
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| | n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612711
(CHEMBL5278688)Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(OC)c1 | PDB
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| UniChem
| | n/a | n/a | 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612712
(CHEMBL5269753)Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)CCO | PDB
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| UniChem
| | n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612718
(CHEMBL5269857)Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1 | PDB
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| | n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM318936
(US10173988, Compound A)Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28) | PDB
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| US Patent
| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GLUCOX BIOTECH AB
US Patent
| Assay Description
Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we... |
US Patent US10173988 (2019)
BindingDB Entry DOI: 10.7270/Q2WH2S3G |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612701
(CHEMBL5266372)Show SMILES CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1 | PDB
UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612704
(CHEMBL5266063)Show SMILES CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1 | PDB
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| UniChem
| | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612710
(CHEMBL5290483)Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(OC)c1 | PDB
UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612703
(CHEMBL5269456)Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1 | PDB
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| | n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612706
(CHEMBL5283659)Show SMILES CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1 | PDB
UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612707
(CHEMBL5287636)Show SMILES CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1 | PDB
UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 2.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612715
(CHEMBL5287582)Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)CCCO | PDB
UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612705
(CHEMBL5291222)Show SMILES CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1 | PDB
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| UniChem
| | n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612713
(CHEMBL5271584)Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)CCO | PDB
UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612716
(CHEMBL5270712)Show SMILES CN(C)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1 | PDB
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| UniChem
| | n/a | n/a | 2.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612722
(CHEMBL5268914)Show SMILES CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1 | PDB
UniProtKB/SwissProt
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| UniChem
| | n/a | n/a | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612700
(CHEMBL5287478)Show SMILES CN(C)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1 | PDB
UniProtKB/SwissProt
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AffyNet
| UniChem
| | n/a | n/a | 3.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612717
(CHEMBL5268551)Show SMILES CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1 | PDB
UniProtKB/SwissProt
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AffyNet
| UniChem
| | n/a | n/a | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612721
(CHEMBL5282886)Show SMILES CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1 | PDB
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| UniChem
| | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM42323
(1-(10H-phenothiazin-2-yl)ethanone | MLS000047624 |...)Show InChI InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3 | PDB
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| PCBioAssay
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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/Q25719HD |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612702
(CHEMBL5290730)Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1 | PDB
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| UniChem
| | n/a | n/a | 5.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50612723
(CHEMBL5286033)Show SMILES CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1 | PDB
UniProtKB/SwissProt
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AffyNet
| UniChem
| | n/a | n/a | 6.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM50497263
(CHEMBL3347554)Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14| Show InChI InChI=1S/C23H25Cl2N/c1-13(2)10-19-22-21-15(14-8-9-17(24)18(25)11-14)6-5-7-16(21)20(26-19)12-23(22,3)4/h5-9,11,19-20,22,26H,1,10,12H2,2-4H3/t19-,20-,22-/m0/s1 | PDB
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| Article
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| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ... |
Medchemcomm 4: 1085-1092 (2013)
Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK |
More data for this
Ligand-Target Pair | |
Cytochrome b-245 heavy chain
(Homo sapiens (Human)) | BDBM65841
(2-(trifluoromethyl)-10H-phenothiazine | SR-0100044...)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 | PDB
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| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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/Q25719HD |
More data for this
Ligand-Target Pair | |
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