Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50029999 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
Article
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290098
((R)-3-Cyclohexylmethyl-1,8,8-trimethyl-3-aza-bicyc...)Show SMILES CC1(C)C2CC[C@@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C17H31N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15?,17-/m0/s1 | PDB
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| Article
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290099
((S)-3-(4-Cyclohexyl-butyl)-1,8,8-trimethyl-3-aza-b...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCCCC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C20H37N/c1-19(2)18-12-13-20(19,3)16-21(15-18)14-8-7-11-17-9-5-4-6-10-17/h17-18H,4-16H2,1-3H3/t18?,20-/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290100
((S)-3-Cyclohexylmethyl-1,8,8-trimethyl-3-aza-bicyc...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C17H31N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15?,17-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290095
((R)-3-(2-Cyclohexyl-ethyl)-1,8,8-trimethyl-3-aza-b...)Show SMILES CC1(C)C2CC[C@@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3/t16?,18-/m0/s1 | PDB
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| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290096
((S)-3-(2-Cyclopentyl-ethyl)-1,8,8-trimethyl-3-aza-...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C17H31N/c1-16(2)15-8-10-17(16,3)13-18(12-15)11-9-14-6-4-5-7-14/h14-15H,4-13H2,1-3H3/t15?,17-/m1/s1 | PDB
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| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290094
((S)-3-(2-Cyclohexyl-ethyl)-1,8,8-trimethyl-3-aza-b...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3/t16?,18-/m1/s1 | PDB
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| Article
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290101
((S)-3-(3-Cyclohexyl-propyl)-1,8,8-trimethyl-3-aza-...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCCC1CCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C19H35N/c1-18(2)17-11-12-19(18,3)15-20(14-17)13-7-10-16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290093
((S)-3-(2-Cyclooctyl-ethyl)-1,8,8-trimethyl-3-aza-b...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C20H37N/c1-19(2)18-11-13-20(19,3)16-21(15-18)14-12-17-9-7-5-4-6-8-10-17/h17-18H,4-16H2,1-3H3/t18?,20-/m1/s1 | PDB
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| Article
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290092
((S)-3-(2-Cycloheptyl-ethyl)-1,8,8-trimethyl-3-aza-...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCC1)C2 |THB:10:9:1:5.4| Show InChI InChI=1S/C19H35N/c1-18(2)17-10-12-19(18,3)15-20(14-17)13-11-16-8-6-4-5-7-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1 | PDB
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| Article
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290097
((S)-3-Cyclohexyl-1,8,8-trimethyl-3-aza-bicyclo[3.2...)Show SMILES CC1(C)C2CC[C@]1(C)CN(C2)C1CCCCC1 |THB:11:9:1:5.4| Show InChI InChI=1S/C16H29N/c1-15(2)13-9-10-16(15,3)12-17(11-13)14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3/t13?,16-/m1/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50290091
((S)-3-(2-Adamantan-2-yl-ethyl)-1,8,8-trimethyl-3-a...)Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1C3CC4CC(C3)CC1C4)C2 |wD:6.7,TLB:11:12:14:17.18.16,THB:16:15:12:17.18.19,16:17:12:15.14.21,10:9:1:5.4,11:12:15.14.21:17.18.19,19:20:14:17.18.16,19:17:14:20.12.21,(-7.25,2.8,;-5.75,2.79,;-6.14,4.25,;-4.39,2.21,;-4,.76,;-4.93,-.34,;-4.93,1.16,;-6.43,1.16,;-2.69,2.13,;-1.35,1.44,;-.27,.4,;1.17,.82,;2.25,-.23,;2.88,-1.98,;2.25,-3.46,;3.36,-4.49,;5,-4.47,;5.66,-2.93,;4.41,-2.03,;5.18,-1.24,;3.56,-1.24,;2.87,-2.78,;-2.32,3.17,)| Show InChI InChI=1S/C22H37N/c1-21(2)19-4-6-22(21,3)14-23(13-19)7-5-20-17-9-15-8-16(11-17)12-18(20)10-15/h15-20H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,22-/m1/s1 | PDB
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
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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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50001044
((1S,9S,13S)-10-allyl-1,13-dimethyl-10-azatricyclo[...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3| 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-/m1/s1 | PDB
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| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1 |
Bioorg Med Chem Lett 7: 2303-2306 (1997)
Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV |
More data for this
Ligand-Target Pair | |
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