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3 similar compounds to monomer 50316376

Compile data set for download or QSAR
Wt: 200.1
BDBM2219
Wt: 214.1
BDBM2373
Wt: 214.1
BDBM50002368

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 2219,2373,50002368   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GRIA3


(RAT)
BDBM50002368
PNG
((R,S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)p...)
Show SMILES Cc1onc(C(O)=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
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20n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM2219
PNG
((S)-Demethyl-ACPA | Demethyl-ACPA)
Show SMILES N[C@@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H8N2O5/c8-4(6(10)11)1-3-2-14-9-5(3)7(12)13/h2,4H,1,8H2,(H,10,11)(H,12,13)/t4-/m0/s1
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39n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM2219
PNG
((S)-Demethyl-ACPA | Demethyl-ACPA)
Show SMILES N[C@@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H8N2O5/c8-4(6(10)11)1-3-2-14-9-5(3)7(12)13/h2,4H,1,8H2,(H,10,11)(H,12,13)/t4-/m0/s1
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100n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM50002368
PNG
((R,S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)p...)
Show SMILES Cc1onc(C(O)=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
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6.30E+3n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM2219
PNG
((S)-Demethyl-ACPA | Demethyl-ACPA)
Show SMILES N[C@@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H8N2O5/c8-4(6(10)11)1-3-2-14-9-5(3)7(12)13/h2,4H,1,8H2,(H,10,11)(H,12,13)/t4-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM2219
PNG
((S)-Demethyl-ACPA | Demethyl-ACPA)
Show SMILES N[C@@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H8N2O5/c8-4(6(10)11)1-3-2-14-9-5(3)7(12)13/h2,4H,1,8H2,(H,10,11)(H,12,13)/t4-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Glutamate kainate


(RAT)
BDBM2373
PNG
((R)-ACPA)
Show SMILES Cc1onc(C(O)=O)c1C[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)/t5-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM2373
PNG
((R)-ACPA)
Show SMILES Cc1onc(C(O)=O)c1C[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)/t5-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM2219
PNG
((S)-Demethyl-ACPA | Demethyl-ACPA)
Show SMILES N[C@@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H8N2O5/c8-4(6(10)11)1-3-2-14-9-5(3)7(12)13/h2,4H,1,8H2,(H,10,11)(H,12,13)/t4-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM50002368
PNG
((R,S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)p...)
Show SMILES Cc1onc(C(O)=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM2219
PNG
((S)-Demethyl-ACPA | Demethyl-ACPA)
Show SMILES N[C@@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1S/C7H8N2O5/c8-4(6(10)11)1-3-2-14-9-5(3)7(12)13/h2,4H,1,8H2,(H,10,11)(H,12,13)/t4-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by PDSP Ki Database




Chirality 13: 523-32 (2001)


Article DOI: 10.1002/chir.1172
BindingDB Entry DOI: 10.7270/Q2Z31X6K
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50002368
PNG
((R,S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)p...)
Show SMILES Cc1onc(C(O)=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
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n/an/an/an/a 100n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant GluA3 receptor expressed in Xenopus oocytes


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GRIA3


(RAT)
BDBM50002368
PNG
((R,S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)p...)
Show SMILES Cc1onc(C(O)=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
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n/an/an/an/a 100n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant GluA3 receptor flop isoform expressed in Xenopus oocytes


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50002368
PNG
((R,S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)p...)
Show SMILES Cc1onc(C(O)=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant GluA1 receptor flop isoform expressed in Xenopus oocytes


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50002368
PNG
((R,S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)p...)
Show SMILES Cc1onc(C(O)=O)c1CC(N)C(O)=O
Show InChI InChI=1S/C8H10N2O5/c1-3-4(2-5(9)7(11)12)6(8(13)14)10-15-3/h5H,2,9H2,1H3,(H,11,12)(H,13,14)
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant GluA1 receptor expressed in Xenopus oocytes


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair