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PubMed code 11579444

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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
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=1/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)
BDBM50316376
PNG
((S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)pro...)
Show SMILES Cc1onc(C(O)=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1/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-/s2
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25n/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=1/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-/s2
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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)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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40n/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=1/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-/s2
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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
GRIA3


(RAT)
BDBM85822
PNG
(Demethyl-AMPA | OFQ/N | OFQ/N (1-11) | OFQ/N (1-11...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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270n/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)
BDBM50316376
PNG
((S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)pro...)
Show SMILES Cc1onc(C(O)=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1/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-/s2
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3.60E+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
Ionotropic glutamate receptor NMDA 1/2D


(RAT)
BDBM390
PNG
((R)-Demethyl-ACPA)
Show SMILES N[C@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
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4.50E+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)
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=1/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
GRIA3


(RAT)
BDBM390
PNG
((R)-Demethyl-ACPA)
Show SMILES N[C@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
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9.40E+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
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=1/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-/s2
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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=1/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-/s2
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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)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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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=1/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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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=1/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-/s2
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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)
BDBM390
PNG
((R)-Demethyl-ACPA)
Show SMILES N[C@H](Cc1conc1C(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
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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=1/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-/s2
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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=1/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-/s2
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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=1/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-/s2
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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)
BDBM85822
PNG
(Demethyl-AMPA | OFQ/N | OFQ/N (1-11) | OFQ/N (1-11...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/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)
BDBM50002370
PNG
((R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-...)
Show SMILES Cc1o[nH]c(=O)c1CC(N)C(O)=O
Show InChI InChI=1/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)
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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)
BDBM50316376
PNG
((S)-2-amino-3-(3-carboxy-5-methyl-4-isoxazolyl)pro...)
Show SMILES Cc1onc(C(O)=O)c1C[C@H](N)C(O)=O
Show InChI InChI=1/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-/s2
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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)
BDBM85822
PNG
(Demethyl-AMPA | OFQ/N | OFQ/N (1-11) | OFQ/N (1-11...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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Article
PubMed
>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
* indicates data uncertainty>20%