Found 8 hits Enz. Inhib. hit(s) with all data for entry = 5146 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM50080029
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1 | PDB
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| PDB
Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Neurochem 70: 2147-55 (1998)
Article DOI: 10.1046/j.1471-4159.1998.70052147.x
BindingDB Entry DOI: 10.7270/Q2KP80Q7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM50032651
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1 | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Neurochem 70: 2147-55 (1998)
Article DOI: 10.1046/j.1471-4159.1998.70052147.x
BindingDB Entry DOI: 10.7270/Q2KP80Q7 |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM50007674
((+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydro...)Show SMILES C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3/t16-,21-/m0/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Neurochem 70: 2147-55 (1998)
Article DOI: 10.1046/j.1471-4159.1998.70052147.x
BindingDB Entry DOI: 10.7270/Q2KP80Q7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM85221
(Ro 04-5595)Show InChI InChI=1S/C19H22ClNO2/c1-21-10-9-14-11-19(23-2)18(22)12-16(14)17(21)8-5-13-3-6-15(20)7-4-13/h3-4,6-7,11-12,17,22H,5,8-10H2,1-2H3 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Neurochem 70: 2147-55 (1998)
Article DOI: 10.1046/j.1471-4159.1998.70052147.x
BindingDB Entry DOI: 10.7270/Q2KP80Q7 |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM50079387
(1-(4-Chloro-phenyl)-2-[4-(4-fluoro-benzyl)-piperid...)Show InChI InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2 | PDB
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| Article
PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Neurochem 70: 2147-55 (1998)
Article DOI: 10.1046/j.1471-4159.1998.70052147.x
BindingDB Entry DOI: 10.7270/Q2KP80Q7 |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM21398
(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 | PDB
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KEGG
PC cid
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Neurochem 70: 2147-55 (1998)
Article DOI: 10.1046/j.1471-4159.1998.70052147.x
BindingDB Entry DOI: 10.7270/Q2KP80Q7 |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM79403
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2 | PDB
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PC sid
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| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Neurochem 70: 2147-55 (1998)
Article DOI: 10.1046/j.1471-4159.1998.70052147.x
BindingDB Entry DOI: 10.7270/Q2KP80Q7 |
More data for this
Ligand-Target Pair | |
Glutamate receptor ionotropic, NMDA 1
(RAT) | BDBM50009353
(1,5,10-triazadecane | 4-azaoctamethylenediamine | ...)Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by PDSP Ki Database
| |
J Neurochem 70: 2147-55 (1998)
Article DOI: 10.1046/j.1471-4159.1998.70052147.x
BindingDB Entry DOI: 10.7270/Q2KP80Q7 |
More data for this
Ligand-Target Pair | |
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