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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 5461   
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 1


(RAT)
BDBM86495
PNG
(EAB-318)
Show SMILES N[C@H](Cc1nc2cc(Cl)ccc2n1P(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H11ClN3O5P/c11-5-1-2-8-7(3-5)13-9(4-6(12)10(15)16)14(8)20(17,18)19/h1-3,6H,4,12H2,(H,15,16)(H2,17,18,19)/t6-/m1/s1
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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 563-70 (2004)


Article DOI: 10.1124/jpet.104.066092
BindingDB Entry DOI: 10.7270/Q2DJ5D6D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM86494
PNG
(EAA-090 | Perzinfotel | WAY-126090)
Show SMILES [#8][P;v5]([#8])(=O)[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7]-c2c-1c(=O)c2=O
Show InChI InChI=1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)
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MCE
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PC sid
UniChem

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Article
PubMed
28n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 563-70 (2004)


Article DOI: 10.1124/jpet.104.066092
BindingDB Entry DOI: 10.7270/Q2DJ5D6D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM86495
PNG
(EAB-318)
Show SMILES N[C@H](Cc1nc2cc(Cl)ccc2n1P(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H11ClN3O5P/c11-5-1-2-8-7(3-5)13-9(4-6(12)10(15)16)14(8)20(17,18)19/h1-3,6H,4,12H2,(H,15,16)(H2,17,18,19)/t6-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
719n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 563-70 (2004)


Article DOI: 10.1124/jpet.104.066092
BindingDB Entry DOI: 10.7270/Q2DJ5D6D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM86494
PNG
(EAA-090 | Perzinfotel | WAY-126090)
Show SMILES [#8][P;v5]([#8])(=O)[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7]-c2c-1c(=O)c2=O
Show InChI InChI=1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 563-70 (2004)


Article DOI: 10.1124/jpet.104.066092
BindingDB Entry DOI: 10.7270/Q2DJ5D6D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(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
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CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 563-70 (2004)


Article DOI: 10.1124/jpet.104.066092
BindingDB Entry DOI: 10.7270/Q2DJ5D6D
More data for this
Ligand-Target Pair