Found 8 hits Enz. Inhib. hit(s) with all data for entry = 5199 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 |
|---|
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | 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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| PDB
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 251-60 (1999)
BindingDB Entry DOI: 10.7270/Q2R49P9J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM85392
(CAS_131443 | NSC_131443 | PPAP, (-))Show InChI InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3 | PDB
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Similars
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 251-60 (1999)
BindingDB Entry DOI: 10.7270/Q2R49P9J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM15581
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3 | PDB
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| PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 251-60 (1999)
BindingDB Entry DOI: 10.7270/Q2R49P9J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM94507
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3 | PDB
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| 10.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 251-60 (1999)
BindingDB Entry DOI: 10.7270/Q2R49P9J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM85391
(CAS_85976-54-1 | NSC_149136 | PPP, (+))Show SMILES OC1CC(OC1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1cnc2c1n1ccnc1[nH]c2=O Show InChI InChI=1S/C12H16N5O13P3/c18-6-3-8(17-5-14-9-10(19)15-12-13-1-2-16(12)11(9)17)28-7(6)4-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5-8,18H,3-4H2,(H,23,24)(H,25,26)(H,13,15,19)(H2,20,21,22) | PDB
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| KEGG
PC cid
PC sid
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 251-60 (1999)
BindingDB Entry DOI: 10.7270/Q2R49P9J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM81982
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18) | PDB
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| 104 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 251-60 (1999)
BindingDB Entry DOI: 10.7270/Q2R49P9J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| PubMed
| 353 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 251-60 (1999)
BindingDB Entry DOI: 10.7270/Q2R49P9J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50003560
(4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.0...)Show SMILES COc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:19:18:8:16.14.15,17:16:8:18.5.6| Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 | PDB
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PC cid
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| 521 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 251-60 (1999)
BindingDB Entry DOI: 10.7270/Q2R49P9J |
More data for this
Ligand-Target Pair | |
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