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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Sigma-2' 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
Sigma-2


(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
24.2n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339687
PNG
(4-(Dimethylamino)-N-(4-(4-(2-(2-fluoroethoxy)pheny...)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OCCF
Show InChI InChI=1S/C25H35FN4O2/c1-28(2)22-11-9-21(10-12-22)25(31)27-14-5-6-15-29-16-18-30(19-17-29)23-7-3-4-8-24(23)32-20-13-26/h3-4,7-12H,5-6,13-20H2,1-2H3,(H,27,31)
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650n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339689
PNG
(4-(2-Fluoroethoxy)-N-(4-(4-(2-methoxyphenyl)-piper...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1
Show InChI InChI=1S/C24H32FN3O3/c1-30-23-7-3-2-6-22(23)28-17-15-27(16-18-28)14-5-4-13-26-24(29)20-8-10-21(11-9-20)31-19-12-25/h2-3,6-11H,4-5,12-19H2,1H3,(H,26,29)
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660n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339686
PNG
(4-(2-Fluoroethoxy)-N-(4-(4-(2-(2-fluoroethoxy)phen...)
Show SMILES FCCOc1ccc(cc1)C(=O)NCCCCN1CCN(CC1)c1ccccc1OCCF
Show InChI InChI=1S/C25H33F2N3O3/c26-11-19-32-22-9-7-21(8-10-22)25(31)28-13-3-4-14-29-15-17-30(18-16-29)23-5-1-2-6-24(23)33-20-12-27/h1-2,5-10H,3-4,11-20H2,(H,28,31)
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794n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339688
PNG
(4-(2-(2-(2-Fluoroethoxy)ethoxy)ethoxy)-N-(4-(4-(2-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1
Show InChI InChI=1S/C28H40FN3O5/c1-34-27-7-3-2-6-26(27)32-17-15-31(16-18-32)14-5-4-13-30-28(33)24-8-10-25(11-9-24)37-23-22-36-21-20-35-19-12-29/h2-3,6-11H,4-5,12-23H2,1H3,(H,30,33)
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1.12E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339683
PNG
(4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...)
Show SMILES FCCOc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C27H30FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-11,20-21H,12-19H2,(H,29,32)/b4-3+
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1.32E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339691
PNG
(4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)
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PubMed
1.57E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339684
PNG
(4-(2-Fluoroethyl)-N-(4-(4-(2-(2-Fluoroethoxy)pheny...)
Show SMILES FCCOc1ccccc1N1CCN(C\C=C\CNC(=O)c2ccc(CCF)cc2)CC1
Show InChI InChI=1S/C25H31F2N3O2/c26-12-11-21-7-9-22(10-8-21)25(31)28-14-3-4-15-29-16-18-30(19-17-29)23-5-1-2-6-24(23)32-20-13-27/h1-10H,11-20H2,(H,28,31)/b4-3+
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PubMed
2.02E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339690
PNG
(4-(2-fluoroethyl)-N-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1
Show InChI InChI=1S/C24H32FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)21-10-8-20(9-11-21)12-13-25/h2-3,6-11H,4-5,12-19H2,1H3,(H,26,29)
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PubMed
2.21E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM50339685
PNG
(4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)pheny...)
Show SMILES FCCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C27H32FN3O2S/c28-12-19-33-26-6-2-1-5-25(26)31-17-15-30(16-18-31)14-4-3-13-29-27(32)23-9-7-22(8-10-23)24-11-20-34-21-24/h1-2,5-11,20-21H,3-4,12-19H2,(H,29,32)
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5.96E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Sigma-2


(RAT)
BDBM81790
PNG
(Amisulpride | CAS_71675-85-9 | NSC_2159)
Show SMILES CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair