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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50037532   
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
Glutamate receptor ionotropic, NMDA 2A


(Rattus norvegicus (Rat))
BDBM50171881
PNG
((E)-(R)-2-Amino-4-methyl-5-phosphono-pent-3-enoic ...)
Show SMILES CC(CC(=N)C(O)=O)CP(O)(O)=O
Show InChI InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H2,10,11,12)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]CPP binding to rat N-methyl-D-aspartic acid receptor 2A


J Med Chem 48: 5489-94 (2005)


Article DOI: 10.1021/jm050174x
BindingDB Entry DOI: 10.7270/Q2HD7WFN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A


(Rattus norvegicus (Rat))
BDBM50004927
PNG
(4-Phosphonomethyl-piperidine-2-carboxylic acid | 4...)
Show SMILES OC(=O)[C@@H]1C[C@H](CP(O)(O)=O)CCN1
Show InChI InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]CPP binding to rat N-methyl-D-aspartic acid receptor 2A


J Med Chem 48: 5489-94 (2005)


Article DOI: 10.1021/jm050174x
BindingDB Entry DOI: 10.7270/Q2HD7WFN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A


(Rattus norvegicus (Rat))
BDBM50010893
PNG
((R)-2-Amino-4-oxo-5-phosphono-pentanoic acid | 2-A...)
Show SMILES N[C@H](CC(=O)CP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO6P/c6-4(5(8)9)1-3(7)2-13(10,11)12/h4H,1-2,6H2,(H,8,9)(H2,10,11,12)/t4-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]CPP binding to rat N-methyl-D-aspartic acid receptor 2A


J Med Chem 48: 5489-94 (2005)


Article DOI: 10.1021/jm050174x
BindingDB Entry DOI: 10.7270/Q2HD7WFN
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A


(Rattus norvegicus (Rat))
BDBM50017229
PNG
((S)-2-Amino-5-phosphono-pentanoic acid | (S)-2-ami...)
Show SMILES N[C@@H](CCCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]CPP binding to rat N-methyl-D-aspartic acid receptor 2A


J Med Chem 48: 5489-94 (2005)


Article DOI: 10.1021/jm050174x
BindingDB Entry DOI: 10.7270/Q2HD7WFN
More data for this
Ligand-Target Pair