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Compile Data Set for Download or QSAR

Found 229 hits with Last Name = 'nickels' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Translocator protein


(Rattus norvegicus (rat))
BDBM50430877
PNG
(CHEMBL2336480)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H30N4O2/c1-6-17-14-18(7-2)27-23(24-17)20(15-21(28)26(8-3)9-4)22(25-27)16-10-12-19(29-5)13-11-16/h10-14H,6-9,15H2,1-5H3
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0.180n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430878
PNG
(CHEMBL2336474)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C24H31FN4O2/c1-5-18-15-19(6-2)29-24(26-18)21(16-22(30)28(7-3)8-4)23(27-29)17-9-11-20(12-10-17)31-14-13-25/h9-12,15H,5-8,13-14,16H2,1-4H3
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0.270n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186098
PNG
(CHEMBL3822812)
Show SMILES CCN(C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1)c1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-5-20-17-21(6-2)31-27(28-20)24(26(29-31)19-13-15-23(33-4)16-14-19)18-25(32)30(7-3)22-11-9-8-10-12-22/h8-17H,5-7,18H2,1-4H3
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0.280n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186176
PNG
(CHEMBL3823275)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H42N4O2/c1-6-10-12-18-32(19-13-11-7-2)27(34)21-26-28(22-14-16-25(35-5)17-15-22)31-33-24(9-4)20-23(8-3)30-29(26)33/h14-17,20H,6-13,18-19,21H2,1-5H3
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2.20n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186171
PNG
(CHEMBL3823116)
Show SMILES CCCN(CCC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-14-28(15-7-2)23(30)17-22-24(18-10-12-21(31-5)13-11-18)27-29-20(9-4)16-19(8-3)26-25(22)29/h10-13,16H,6-9,14-15,17H2,1-5H3
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5.60n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50185956
PNG
(CHEMBL3824124)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(C)c3ccccc3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H28N4O2/c1-5-19-16-20(6-2)30-26(27-19)23(17-24(31)29(3)21-10-8-7-9-11-21)25(28-30)18-12-14-22(32-4)15-13-18/h7-16H,5-6,17H2,1-4H3
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6.40n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50336997
PNG
(2-chloro-4-((1R,2S)-1-(5-(4-cyanophenyl)-1,3,4-oxa...)
Show SMILES C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay


ACS Med Chem Lett 2: 124-129 (2011)


Article DOI: 10.1021/ml1002508
BindingDB Entry DOI: 10.7270/Q2JQ119N
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186173
PNG
(CHEMBL3823482)
Show SMILES CCCCN(CCCC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H38N4O2/c1-6-10-16-30(17-11-7-2)25(32)19-24-26(20-12-14-23(33-5)15-13-20)29-31-22(9-4)18-21(8-3)28-27(24)31/h12-15,18H,6-11,16-17,19H2,1-5H3
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7.30n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50243007
PNG
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
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9.70n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay


ACS Med Chem Lett 2: 124-129 (2011)


Article DOI: 10.1021/ml1002508
BindingDB Entry DOI: 10.7270/Q2JQ119N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50327238
PNG
(2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3
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12n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186196
PNG
(CHEMBL3823216)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(CC(C)C)CC(C)C)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H38N4O2/c1-8-21-14-22(9-2)31-27(28-21)24(15-25(32)30(16-18(3)4)17-19(5)6)26(29-31)20-10-12-23(33-7)13-11-20/h10-14,18-19H,8-9,15-17H2,1-7H3
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13n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186218
PNG
(CHEMBL3822930)
Show SMILES CCC(C)N(C(C)CC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H38N4O2/c1-8-18(5)30(19(6)9-2)25(32)17-24-26(20-12-14-23(33-7)15-13-20)29-31-22(11-4)16-21(10-3)28-27(24)31/h12-16,18-19H,8-11,17H2,1-7H3
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14n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186177
PNG
(CHEMBL3823486)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H46N4O2/c1-6-10-12-14-20-34(21-15-13-11-7-2)29(36)23-28-30(24-16-18-27(37-5)19-17-24)33-35-26(9-4)22-25(8-3)32-31(28)35/h16-19,22H,6-15,20-21,23H2,1-5H3
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19n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186191
PNG
(CHEMBL3823161)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(C(C)C)C(C)C)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-8-19-14-20(9-2)29-25(26-19)22(15-23(30)28(16(3)4)17(5)6)24(27-29)18-10-12-21(31-7)13-11-18/h10-14,16-17H,8-9,15H2,1-7H3
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20n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of fluorescent-tagged R1881 from androgen receptor after 4 hrs by fluorometric assay


ACS Med Chem Lett 2: 124-129 (2011)


Article DOI: 10.1021/ml1002508
BindingDB Entry DOI: 10.7270/Q2JQ119N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50186170
PNG
(CHEMBL3822955)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(C)C)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-15-12-16(7-2)25-21(22-15)18(13-19(26)24(3)4)20(23-25)14-8-10-17(27-5)11-9-14/h8-12H,6-7,13H2,1-5H3
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38n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186168
PNG
(CHEMBL3823157)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N3CCCCC3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H30N4O2/c1-4-18-15-19(5-2)28-24(25-18)21(16-22(29)27-13-7-6-8-14-27)23(26-28)17-9-11-20(30-3)12-10-17/h9-12,15H,4-8,13-14,16H2,1-3H3
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49n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430876
PNG
(CHEMBL2336473)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(Cl)c(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H25ClN4O2/c1-6-25(7-2)18(27)12-17-20(15-8-10-16(28-5)11-9-15)24-26-14(4)19(22)13(3)23-21(17)26/h8-11H,6-7,12H2,1-5H3
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55n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186189
PNG
(CHEMBL3823037)
Show SMILES CCN(C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1)C(C)(C)C
Show InChI InChI=1S/C25H34N4O2/c1-8-18-15-19(9-2)29-24(26-18)21(16-22(30)28(10-3)25(4,5)6)23(27-29)17-11-13-20(31-7)14-12-17/h11-15H,8-10,16H2,1-7H3
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59n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430887
PNG
(CHEMBL2336479)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(Cl)c(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H26ClFN4O2/c1-5-27(6-2)19(29)13-18-21(16-7-9-17(10-8-16)30-12-11-24)26-28-15(4)20(23)14(3)25-22(18)28/h7-10H,5-6,11-13H2,1-4H3
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68n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430886
PNG
(CHEMBL2336476)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(C)c(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C23H29FN4O2/c1-6-27(7-2)21(29)14-20-22(18-8-10-19(11-9-18)30-13-12-24)26-28-17(5)15(3)16(4)25-23(20)28/h8-11H,6-7,12-14H2,1-5H3
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83n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186100
PNG
(CHEMBL3823703)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N3CCC3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H26N4O2/c1-4-16-13-17(5-2)26-22(23-16)19(14-20(27)25-11-6-12-25)21(24-26)15-7-9-18(28-3)10-8-15/h7-10,13H,4-6,11-12,14H2,1-3H3
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88n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430885
PNG
(CHEMBL2336482)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(C)c(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H28N4O2/c1-7-25(8-2)20(27)13-19-21(17-9-11-18(28-6)12-10-17)24-26-16(5)14(3)15(4)23-22(19)26/h9-12H,7-8,13H2,1-6H3
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94n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186179
PNG
(CHEMBL3824014)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(C)C(C)(C)C)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H32N4O2/c1-8-17-14-18(9-2)28-23(25-17)20(15-21(29)27(6)24(3,4)5)22(26-28)16-10-12-19(30-7)13-11-16/h10-14H,8-9,15H2,1-7H3
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95n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186155
PNG
(CHEMBL3824260)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N3CCCC3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N4O2/c1-4-17-14-18(5-2)27-23(24-17)20(15-21(28)26-12-6-7-13-26)22(25-27)16-8-10-19(29-3)11-9-16/h8-11,14H,4-7,12-13,15H2,1-3H3
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127n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430884
PNG
(CHEMBL2336483)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(CC)c(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H30N4O2/c1-7-19-15(4)24-23-20(14-21(28)26(8-2)9-3)22(25-27(23)16(19)5)17-10-12-18(29-6)13-11-17/h10-13H,7-9,14H2,1-6H3
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157n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430883
PNG
(CHEMBL2336484)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(CC(C)=O)c(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H30N4O3/c1-7-27(8-2)22(30)14-21-23(18-9-11-19(31-6)12-10-18)26-28-17(5)20(13-15(3)29)16(4)25-24(21)28/h9-12H,7-8,13-14H2,1-6H3
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201n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430882
PNG
(CHEMBL2336478)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(CC(C)=O)c(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C25H31FN4O3/c1-6-29(7-2)23(32)15-22-24(19-8-10-20(11-9-19)33-13-12-26)28-30-18(5)21(14-16(3)31)17(4)27-25(22)30/h8-11H,6-7,12-15H2,1-5H3
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252n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430881
PNG
(CHEMBL2336477)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)c(CC)c(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C24H31FN4O2/c1-6-20-16(4)26-24-21(15-22(30)28(7-2)8-3)23(27-29(24)17(20)5)18-9-11-19(12-10-18)31-14-13-25/h9-12H,6-8,13-15H2,1-5H3
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277n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186099
PNG
(CHEMBL3824329)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C33H34N4O2/c1-4-27-20-28(5-2)37-33(34-27)30(32(35-37)26-16-18-29(39-3)19-17-26)21-31(38)36(22-24-12-8-6-9-13-24)23-25-14-10-7-11-15-25/h6-20H,4-5,21-23H2,1-3H3
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397n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from TSPO in rat C6 cell lysate after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430879
PNG
(CHEMBL2336475)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(cc(nc12)C(C)C)C(C)C)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C26H35FN4O2/c1-7-30(8-2)24(32)15-21-25(19-9-11-20(12-10-19)33-14-13-27)29-31-23(18(5)6)16-22(17(3)4)28-26(21)31/h9-12,16-18H,7-8,13-15H2,1-6H3
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>500n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50430880
PNG
(CHEMBL2336481)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(cc(nc12)C(C)C)C(C)C)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-8-28(9-2)23(30)14-20-24(18-10-12-19(31-7)13-11-18)27-29-22(17(5)6)15-21(16(3)4)26-25(20)29/h10-13,15-17H,8-9,14H2,1-7H3
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>500n/an/an/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK 11195 from TSPO in rat C6 cell lysates after 2 hrs by scintillation counting analysis


J Med Chem 56: 3429-33 (2013)


Article DOI: 10.1021/jm4001874
BindingDB Entry DOI: 10.7270/Q2Z3211Z
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186168
PNG
(CHEMBL3823157)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N3CCCCC3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H30N4O2/c1-4-18-15-19(5-2)28-24(25-18)21(16-22(29)27-13-7-6-8-14-27)23(26-28)17-9-11-20(30-3)12-10-17/h9-12,15H,4-8,13-14,16H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186155
PNG
(CHEMBL3824260)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N3CCCC3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N4O2/c1-4-17-14-18(5-2)27-23(24-17)20(15-21(28)26-12-6-7-13-26)22(25-27)16-8-10-19(29-3)11-9-16/h8-11,14H,4-7,12-13,15H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186100
PNG
(CHEMBL3823703)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N3CCC3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H26N4O2/c1-4-16-13-17(5-2)26-22(23-16)19(14-20(27)25-11-6-12-25)21(24-26)15-7-9-18(28-3)10-8-15/h7-10,13H,4-6,11-12,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186099
PNG
(CHEMBL3824329)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C33H34N4O2/c1-4-27-20-28(5-2)37-33(34-27)30(32(35-37)26-16-18-29(39-3)19-17-26)21-31(38)36(22-24-12-8-6-9-13-24)23-25-14-10-7-11-15-25/h6-20H,4-5,21-23H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50185956
PNG
(CHEMBL3824124)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(C)c3ccccc3)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C26H28N4O2/c1-5-19-16-20(6-2)30-26(27-19)23(17-24(31)29(3)21-10-8-7-9-11-21)25(28-30)18-12-14-22(32-4)15-13-18/h7-16H,5-6,17H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186218
PNG
(CHEMBL3822930)
Show SMILES CCC(C)N(C(C)CC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H38N4O2/c1-8-18(5)30(19(6)9-2)25(32)17-24-26(20-12-14-23(33-7)15-13-20)29-31-22(11-4)16-21(10-3)28-27(24)31/h12-16,18-19H,8-11,17H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186196
PNG
(CHEMBL3823216)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(CC(C)C)CC(C)C)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H38N4O2/c1-8-21-14-22(9-2)31-27(28-21)24(15-25(32)30(16-18(3)4)17-19(5)6)26(29-31)20-10-12-23(33-7)13-11-20/h10-14,18-19H,8-9,15-17H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186191
PNG
(CHEMBL3823161)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(C(C)C)C(C)C)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-8-19-14-20(9-2)29-25(26-19)22(15-23(30)28(16(3)4)17(5)6)24(27-29)18-10-12-21(31-7)13-11-18/h10-14,16-17H,8-9,15H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186189
PNG
(CHEMBL3823037)
Show SMILES CCN(C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1)C(C)(C)C
Show InChI InChI=1S/C25H34N4O2/c1-8-18-15-19(9-2)29-24(26-18)21(16-22(30)28(10-3)25(4,5)6)23(27-29)17-11-13-20(31-7)14-12-17/h11-15H,8-10,16H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186179
PNG
(CHEMBL3824014)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(C)C(C)(C)C)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H32N4O2/c1-8-17-14-18(9-2)28-23(25-17)20(15-21(29)27(6)24(3,4)5)22(26-28)16-10-12-19(30-7)13-11-16/h10-14H,8-9,15H2,1-7H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186177
PNG
(CHEMBL3823486)
Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H46N4O2/c1-6-10-12-14-20-34(21-15-13-11-7-2)29(36)23-28-30(24-16-18-27(37-5)19-17-24)33-35-26(9-4)22-25(8-3)32-31(28)35/h16-19,22H,6-15,20-21,23H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186173
PNG
(CHEMBL3823482)
Show SMILES CCCCN(CCCC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H38N4O2/c1-6-10-16-30(17-11-7-2)25(32)19-24-26(20-12-14-23(33-5)15-13-20)29-31-22(9-4)18-21(8-3)28-27(24)31/h12-15,18H,6-11,16-17,19H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186171
PNG
(CHEMBL3823116)
Show SMILES CCCN(CCC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H34N4O2/c1-6-14-28(15-7-2)23(30)17-22-24(18-10-12-21(31-5)13-11-18)27-29-20(9-4)16-19(8-3)26-25(22)29/h10-13,16H,6-9,14-15,17H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186170
PNG
(CHEMBL3822955)
Show SMILES CCc1cc(CC)n2nc(c(CC(=O)N(C)C)c2n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-15-12-16(7-2)25-21(22-15)18(13-19(26)24(3)4)20(23-25)14-8-10-17(27-5)11-9-14/h8-12H,6-7,13H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186176
PNG
(CHEMBL3823275)
Show SMILES CCCCCN(CCCCC)C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H42N4O2/c1-6-10-12-18-32(19-13-11-7-2)27(34)21-26-28(22-14-16-25(35-5)17-15-22)31-33-24(9-4)20-23(8-3)30-29(26)33/h14-17,20H,6-13,18-19,21H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50186098
PNG
(CHEMBL3822812)
Show SMILES CCN(C(=O)Cc1c(nn2c(CC)cc(CC)nc12)-c1ccc(OC)cc1)c1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-5-20-17-21(6-2)31-27(28-20)24(26(29-31)19-13-15-23(33-4)16-14-19)18-25(32)30(7-3)22-11-9-8-10-12-22/h8-17H,5-7,18H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from TSPO in rat C6 cell lysate by liquid scintillation counting


Bioorg Med Chem Lett 26: 3472-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.041
BindingDB Entry DOI: 10.7270/Q2B27X7C
More data for this
Ligand-Target Pair
Toxin ParE


(Escherichia coli)
BDBM50047341
PNG
(CHEMBL3314585)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(-c2ncc[nH]2)c(s1)C(O)=O |r|
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n/an/a 0.120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli ParE


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
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