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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'fonseca' and Initial = 'lm'   
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
Myeloperoxidase


(Homo sapiens (Human))
BDBM50448070
PNG
(CHEMBL3120624)
Show SMILES CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@@H](C)CO)C(=O)C=C12 |r,t:22,30|
Show InChI InChI=1S/C26H42O6/c1-7-16(2)10-17(3)12-26(31,15-28)24(30)32-23-9-8-19(5)25(6)13-20(18(4)14-27)22(29)11-21(23)25/h11,13,16-19,23,27-28,31H,7-10,12,14-15H2,1-6H3/t16?,17?,18-,19-,23+,25+,26?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) using HOCl/taurine as substrate assessed as inhibition of taurine chloramine production by spectrophot...


J Nat Prod 77: 668-72 (2014)


Article DOI: 10.1021/np400825s
BindingDB Entry DOI: 10.7270/Q24X598C
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50349829
PNG
(CHEMBL1813183)
Show SMILES CCC(C)CC(C)CC(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H]3O[C@@]3(C(=C)CO)C(=O)C=C12 |r,t:30|
Show InChI InChI=1S/C26H40O5/c1-8-15(2)11-16(3)12-17(4)23(29)30-21-10-9-18(5)25(7)20(21)13-22(28)26(19(6)14-27)24(25)31-26/h13,15-18,21,24,27H,6,8-12,14H2,1-5,7H3/t15?,16?,17?,18-,21+,24+,25+,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) using HOCl/taurine as substrate assessed as inhibition of taurine chloramine production by spectrophot...


J Nat Prod 77: 668-72 (2014)


Article DOI: 10.1021/np400825s
BindingDB Entry DOI: 10.7270/Q24X598C
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50448072
PNG
(Xylarenone D)
Show SMILES CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H]3O[C@@]3(C(=C)CO)C(=O)C=C12 |r,t:32|
Show InChI InChI=1S/C26H40O7/c1-7-15(2)10-16(3)12-25(31,14-28)23(30)32-20-9-8-17(4)24(6)19(20)11-21(29)26(18(5)13-27)22(24)33-26/h11,15-17,20,22,27-28,31H,5,7-10,12-14H2,1-4,6H3/t15?,16?,17-,20+,22+,24+,25?,26-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) using HOCl/taurine as substrate assessed as inhibition of taurine chloramine production by spectrophot...


J Nat Prod 77: 668-72 (2014)


Article DOI: 10.1021/np400825s
BindingDB Entry DOI: 10.7270/Q24X598C
More data for this
Ligand-Target Pair
Myeloperoxidase


(Homo sapiens (Human))
BDBM50448071
PNG
(CHEMBL3120625)
Show SMILES CCC(C)CC(C)CC(O)(CO)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C=C([C@H](C)CO)C(=O)C=C12 |r,t:22,30|
Show InChI InChI=1S/C26H42O6/c1-7-16(2)10-17(3)12-26(31,15-28)24(30)32-23-9-8-19(5)25(6)13-20(18(4)14-27)22(29)11-21(23)25/h11,13,16-19,23,27-28,31H,7-10,12,14-15H2,1-6H3/t16?,17?,18-,19+,23-,25-,26?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade Estadual Paulista

Curated by ChEMBL


Assay Description
Inhibition of myeloperoxidase (unknown origin) using HOCl/taurine as substrate assessed as inhibition of taurine chloramine production by spectrophot...


J Nat Prod 77: 668-72 (2014)


Article DOI: 10.1021/np400825s
BindingDB Entry DOI: 10.7270/Q24X598C
More data for this
Ligand-Target Pair