Found 9 hits of kd data for polymerid = 5152 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 |
|---|
Myeloperoxidase
(Homo sapiens (Human)) | BDBM217354
(2-(3,5-bistrifluoromethylbenzylamino)-6-oxo-1H-pyr...)Show SMILES ONC(=O)c1cnc(NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[nH]c1=O Show InChI InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 15.8 | n/a | n/a | n/a | 5.0 | n/a |
University of Otago Christchurch
| Assay Description
Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1... |
J Biol Chem 288: 36636-47 (2013)
Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM217355
(4-benzyl-2-hydroxybenzenecarbohydroxamic acid (HX2...)Show InChI InChI=1S/C14H13NO3/c16-13-9-11(6-7-12(13)14(17)15-18)8-10-4-2-1-3-5-10/h1-7,9,16,18H,8H2,(H,15,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 63 | n/a | n/a | n/a | 5.0 | n/a |
University of Otago Christchurch
| Assay Description
Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1... |
J Biol Chem 288: 36636-47 (2013)
Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM312172
(Alternative Preparation | US10016430, Example 3 | ...)Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50595661
(CHEMBL5197968)Show SMILES NC(c1ccccc1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM217356
(2-(benzylamino)-6-oxo-3H-pyrimidine-5-carbohydroxa...)Show InChI InChI=1S/C12H12N4O3/c17-10-9(11(18)16-19)7-14-12(15-10)13-6-8-4-2-1-3-5-8/h1-5,7,19H,6H2,(H,16,18)(H2,13,14,15,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | 5.0 | n/a |
University of Otago Christchurch
| Assay Description
Binding kinetics were determined by surface plasmon resonance (SPR) using a Biacore S51 (Biacore, Uppsala, Sweden). MPO (50 μg/ml dissolved in 1... |
J Biol Chem 288: 36636-47 (2013)
Article DOI: 10.1074/jbc.M113.507756
BindingDB Entry DOI: 10.7270/Q20K27DH |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM50015089
(2,N-Dihydroxy-benzamide | CHEMBL309339 | N,2-dihyd...)Show InChI InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) | PDB
MMDB
KEGG
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human myeloperoxidase |
J Med Chem 55: 7208-18 (2012)
Article DOI: 10.1021/jm3007245
BindingDB Entry DOI: 10.7270/Q2PR7X41 |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM312244
(1-[2-(Aminomethyl)-4-chlorobenzyl]-2-thioxo-1,2,3,...)Show SMILES NCc1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C14H13ClN4OS/c15-10-2-1-8(9(5-10)6-16)7-19-11-3-4-17-12(11)13(20)18-14(19)21/h1-5,17H,6-7,16H2,(H,18,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM |
More data for this
Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM92467
(2-Thioxanthine, TX2)Show InChI InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM92469
(2-Thioxanthine, TX4)Show SMILES O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12 |r| Show InChI InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1 | PDB
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UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.31E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c02141
BindingDB Entry DOI: 10.7270/Q2WD44KM |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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