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Compile Data Set for Download or QSAR

Found 158 hits Enz. Inhib. hit(s) with Target = 'Glutamate-NMDA-MK801' AND taxid = 10116   
Target
(Institution)
LigandTarget
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-NMDA-MK801


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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PubMed
2n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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PubMed
5n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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PubMed
8n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM82063
PNG
(CAS_78-30-8 | TCP | TRI-O-CRESYL PHOSPHATE)
Show SMILES Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C
Show InChI InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
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11n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM82063
PNG
(CAS_78-30-8 | TCP | TRI-O-CRESYL PHOSPHATE)
Show SMILES Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C
Show InChI InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
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19n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
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25n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM82062
PNG
(PCP,m-NH2)
Show SMILES Nc1cccc(c1)C1(CCCCC1)N1CCCCC1
Show InChI InChI=1S/C17H26N2/c18-16-9-7-8-15(14-16)17(10-3-1-4-11-17)19-12-5-2-6-13-19/h7-9,14H,1-6,10-13,18H2
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31n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM82062
PNG
(PCP,m-NH2)
Show SMILES Nc1cccc(c1)C1(CCCCC1)N1CCCCC1
Show InChI InChI=1S/C17H26N2/c18-16-9-7-8-15(14-16)17(10-3-1-4-11-17)19-12-5-2-6-13-19/h7-9,14H,1-6,10-13,18H2
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32n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
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40n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50002051
PNG
((+/-)-(2RS)-2-[(4RS)-2,2-Diphenyl-1,3-dioxolan-4-y...)
Show SMILES C1OC(OC1C1CCCCN1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2
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41n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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45n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50002051
PNG
((+/-)-(2RS)-2-[(4RS)-2,2-Diphenyl-1,3-dioxolan-4-y...)
Show SMILES C1OC(OC1C1CCCCN1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2
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46n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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48n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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49n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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55n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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66n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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75n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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100n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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100n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(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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140n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50002360
PNG
((CPP)4-(3-Phosphono-propyl)-piperazine-2-carboxyli...)
Show SMILES OC(=O)C1CN(CCCP(O)(O)=O)CCN1
Show InChI InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)
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150n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50002360
PNG
((CPP)4-(3-Phosphono-propyl)-piperazine-2-carboxyli...)
Show SMILES OC(=O)C1CN(CCCP(O)(O)=O)CCN1
Show InChI InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)
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220n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM82063
PNG
(CAS_78-30-8 | TCP | TRI-O-CRESYL PHOSPHATE)
Show SMILES Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C
Show InChI InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
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265n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
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286n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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311n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM81977
PNG
(CAS_79055-68-8 | CB3371309 | D-AP5 | D-APV)
Show SMILES N[C@H](CCCP(O)(O)=O)C(O)=O
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-/m1/s1
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350n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM82062
PNG
(PCP,m-NH2)
Show SMILES Nc1cccc(c1)C1(CCCCC1)N1CCCCC1
Show InChI InChI=1S/C17H26N2/c18-16-9-7-8-15(14-16)17(10-3-1-4-11-17)19-12-5-2-6-13-19/h7-9,14H,1-6,10-13,18H2
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360n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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365n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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375n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM81977
PNG
(CAS_79055-68-8 | CB3371309 | D-AP5 | D-APV)
Show SMILES N[C@H](CCCP(O)(O)=O)C(O)=O
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-/m1/s1
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400n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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405n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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530n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50002051
PNG
((+/-)-(2RS)-2-[(4RS)-2,2-Diphenyl-1,3-dioxolan-4-y...)
Show SMILES C1OC(OC1C1CCCCN1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2
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569n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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625n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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690n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM86495
PNG
(EAB-318)
Show SMILES N[C@H](Cc1nc2cc(Cl)ccc2n1P(O)(O)=O)C(O)=O
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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719n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM83449
PNG
(1-(1-phenylcyclohexyl)piperidine;hydrochloride | M...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
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758n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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800n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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821n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
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895n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50002363
PNG
((APH)2-Amino-7-phosphono-heptanoic acid | 2-Amino-...)
Show SMILES NC(CCCCCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
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900n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM31174
PNG
(CHEMBL29757 | D-Aspartate | D-Aspartic Acid)
Show SMILES N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
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900n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
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1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50002051
PNG
((+/-)-(2RS)-2-[(4RS)-2,2-Diphenyl-1,3-dioxolan-4-y...)
Show SMILES C1OC(OC1C1CCCCN1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2
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1.05E+3n/an/an/an/an/an/an/an/a



The Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 238: 739-48 (1986)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM50002363
PNG
((APH)2-Amino-7-phosphono-heptanoic acid | 2-Amino-...)
Show SMILES NC(CCCCCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
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1.10E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
Glutamate-NMDA-MK801


(RAT)
BDBM18125
PNG
((2S)-2-aminobutanedioic acid | Aspartate | CHEMBL2...)
Show SMILES N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by PDSP Ki Database




Br J Pharmacol 95: 932-8 (1988)

More data for this
Ligand-Target Pair
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