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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 782.7
BDBM50382511

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50382511
PNG
(CHEMBL2022237)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1c(F)c(F)c(F)c(F)c1F)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H43F5N12O8/c30-18-11(19(31)21(33)22(34)20(18)32)9-15(25(51)46-16(10-47)26(52)44-14(27(53)54)4-2-8-42-29(39)40)45-24(50)13(3-1-7-41-28(37)38)43-23(49)12(35)5-6-17(36)48/h12-16,47H,1-10,35H2,(H2,36,48)(H,43,49)(H,44,52)(H,45,50)(H,46,51)(H,53,54)(H4,37,38,41)(H4,39,40,42)/t12-,13-,14-,15-,16-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AP-N ectopeptidase activity using alanine-MCA as substrate preincubated for 10 mins with substrate by fluorimetric an...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50382511
PNG
(CHEMBL2022237)
Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1c(F)c(F)c(F)c(F)c1F)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C29H43F5N12O8/c30-18-11(19(31)21(33)22(34)20(18)32)9-15(25(51)46-16(10-47)26(52)44-14(27(53)54)4-2-8-42-29(39)40)45-24(50)13(3-1-7-41-28(37)38)43-23(49)12(35)5-6-17(36)48/h12-16,47H,1-10,35H2,(H2,36,48)(H,43,49)(H,44,52)(H,45,50)(H,46,51)(H,53,54)(H4,37,38,41)(H4,39,40,42)/t12-,13-,14-,15-,16-/m0/s1
PDB

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



Institute of Advanced Chemistry of Catalonia (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP ectopeptidase activity using Abz-dRGL-(EDDnp) as substrate preincubated for 10 mins with substrate by fluorimetri...


J Med Chem 55: 1181-8 (2012)


Article DOI: 10.1021/jm2012112
BindingDB Entry DOI: 10.7270/Q2NC627J
More data for this
Ligand-Target Pair