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Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'schulte' and Initial = 'ml'   
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))
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
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))
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
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))
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))
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))
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))
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))
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))
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))
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))
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))
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))
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
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))
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))
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))
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))
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
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024253
PNG
(CHEMBL3334887)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3
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n/an/a 66n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024254
PNG
(CHEMBL125021)
Show SMILES CCOC(=O)c1ccc(cc1)-c1nn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H20N2O2/c1-2-27-23(26)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)25(24-22)16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024252
PNG
(CHEMBL1609104)
Show SMILES Cn1c(CO)c(-c2ccccc2)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50278662
PNG
(CHEMBL4172540)
Show SMILES C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 |r|
Show InChI InChI=1S/C20H18FNO3/c1-15(25-18-5-3-2-4-6-18)14-24-19-11-12-22(20(23)13-19)17-9-7-16(21)8-10-17/h2-13,15H,14H2,1H3/t15-/m0/s1
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n/an/a 245n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil...


Bioorg Med Chem Lett 29: 2670-2674 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI: 10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024255
PNG
(CHEMBL3334944)
Show SMILES CCCNCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O
Show InChI InChI=1S/C19H21N3O2/c1-3-11-20-13-18-19(14-7-5-4-6-8-14)16-12-15(22(23)24)9-10-17(16)21(18)2/h4-10,12,20H,3,11,13H2,1-2H3
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n/an/a 279n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024258
PNG
(CHEMBL3334941)
Show SMILES Cn1c(COCc2ccccc2)c(-c2ccccc2)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C23H20N2O3/c1-24-21-13-12-19(25(26)27)14-20(21)23(18-10-6-3-7-11-18)22(24)16-28-15-17-8-4-2-5-9-17/h2-14H,15-16H2,1H3
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n/an/a 336n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50512690
PNG
(CHEMBL4451520)
Show SMILES C[C@H](COc1ccccc1)Oc1ccn(-c2cccc(Cl)c2)c(=O)c1 |r|
Show InChI InChI=1S/C20H18ClNO3/c1-15(14-24-18-8-3-2-4-9-18)25-19-10-11-22(20(23)13-19)17-7-5-6-16(21)12-17/h2-13,15H,14H2,1H3/t15-/m1/s1
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n/an/a 520n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux


Bioorg Med Chem Lett 29: 2670-2674 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI: 10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024259
PNG
(CHEMBL3334940)
Show SMILES CCCOCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O
Show InChI InChI=1S/C19H20N2O3/c1-3-11-24-13-18-19(14-7-5-4-6-8-14)16-12-15(21(22)23)9-10-17(16)20(18)2/h4-10,12H,3,11,13H2,1-2H3
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n/an/a 646n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024260
PNG
(CHEMBL3334939)
Show SMILES COCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O
Show InChI InChI=1S/C17H16N2O3/c1-18-15-9-8-13(19(20)21)10-14(15)17(16(18)11-22-2)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
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n/an/a 785n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Proteinase-activated receptor 4


(Homo sapiens (Human))
BDBM50024257
PNG
(CHEMBL3334942)
Show SMILES CNCc1c(-c2ccccc2)c2cc(ccc2n1C)[N+]([O-])=O
Show InChI InChI=1S/C17H17N3O2/c1-18-11-16-17(12-6-4-3-5-7-12)14-10-13(20(21)22)8-9-15(14)19(16)2/h3-10,18H,11H2,1-2H3
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n/an/a 793n/an/an/an/an/an/a



Northwest Agriculture& Forestry University

Curated by ChEMBL


Assay Description
Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a...


Bioorg Med Chem Lett 24: 4708-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.021
BindingDB Entry DOI: 10.7270/Q29P336C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50512692
PNG
(CHEMBL4474204)
Show SMILES C[C@H](COc1ccccc1)COc1ccn(-c2ccc(Cl)cc2)c(=O)c1 |r|
Show InChI InChI=1S/C21H20ClNO3/c1-16(14-25-19-5-3-2-4-6-19)15-26-20-11-12-23(21(24)13-20)18-9-7-17(22)8-10-18/h2-13,16H,14-15H2,1H3/t16-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux


Bioorg Med Chem Lett 29: 2670-2674 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI: 10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50278662
PNG
(CHEMBL4172540)
Show SMILES C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 |r|
Show InChI InChI=1S/C20H18FNO3/c1-15(25-18-5-3-2-4-6-18)14-24-19-11-12-22(20(23)13-19)17-9-7-16(21)8-10-17/h2-13,15H,14H2,1H3/t15-/m0/s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux preincuba...


Bioorg Med Chem Lett 29: 2670-2674 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI: 10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50512694
PNG
(CHEMBL4554871)
Show SMILES C[C@H](COc1ccccc1)COc1ccn(-c2cccc(C)c2)c(=O)c1 |r|
Show InChI InChI=1S/C22H23NO3/c1-17-7-6-8-19(13-17)23-12-11-21(14-22(23)24)26-16-18(2)15-25-20-9-4-3-5-10-20/h3-14,18H,15-16H2,1-2H3/t18-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux


Bioorg Med Chem Lett 29: 2670-2674 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI: 10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50512683
PNG
(CHEMBL4468538)
Show SMILES C[C@@H](COc1ccn(-c2cccc(C)c2)c(=O)c1)Oc1ccccc1 |r|
Show InChI InChI=1S/C21H21NO3/c1-16-7-6-8-18(13-16)22-12-11-20(14-21(22)23)24-15-17(2)25-19-9-4-3-5-10-19/h3-14,17H,15H2,1-2H3/t17-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux


Bioorg Med Chem Lett 29: 2670-2674 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI: 10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140134
PNG
(CHEMBL3753869)
Show SMILES COc1cccc(Oc2ccccc2CN(CC[C@H](N)C(O)=O)Cc2ccccc2Oc2cccc(OC)c2)c1 |r|
Show InChI InChI=1S/C32H34N2O6/c1-37-25-11-7-13-27(19-25)39-30-15-5-3-9-23(30)21-34(18-17-29(33)32(35)36)22-24-10-4-6-16-31(24)40-28-14-8-12-26(20-28)38-2/h3-16,19-20,29H,17-18,21-22,33H2,1-2H3,(H,35,36)/t29-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50512682
PNG
(CHEMBL4520808)
Show SMILES C[C@H](COc1ccccc1)COc1ccn(-c2cccc(Cl)c2)c(=O)c1 |r|
Show InChI InChI=1S/C21H20ClNO3/c1-16(14-25-19-8-3-2-4-9-19)15-26-20-10-11-23(21(24)13-20)18-7-5-6-17(22)12-18/h2-13,16H,14-15H2,1H3/t16-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux


Bioorg Med Chem Lett 29: 2670-2674 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI: 10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50512698
PNG
(CHEMBL4572957)
Show SMILES C[C@H](COc1ccccc1)Oc1ccn(-c2cccc(C)c2)c(=O)c1 |r|
Show InChI InChI=1S/C21H21NO3/c1-16-7-6-8-18(13-16)22-12-11-20(14-21(22)23)25-17(2)15-24-19-9-4-3-5-10-19/h3-14,17H,15H2,1-2H3/t17-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3R expressed in HEK cells harboring GIRK assessed as reduction in glutamate-induced thallium flux


Bioorg Med Chem Lett 29: 2670-2674 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.030
BindingDB Entry DOI: 10.7270/Q2KP85HM
More data for this
Ligand-Target Pair
Amino acid transporter


(Rattus norvegicus)
BDBM50140131
PNG
(CHEMBL3752249)
Show SMILES N[C@@H](CCN(Cc1ccccc1Oc1ccccc1F)Cc1ccccc1Oc1ccccc1F)C(O)=O |r|
Show InChI InChI=1S/C30H28F2N2O4/c31-23-11-3-7-15-28(23)37-26-13-5-1-9-21(26)19-34(18-17-25(33)30(35)36)20-22-10-2-6-14-27(22)38-29-16-8-4-12-24(29)32/h1-16,25H,17-20,33H2,(H,35,36)/t25-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated glutamine transport in rat C6 cells using [3H]-glutamine after 15 mins by scintillation counting


Bioorg Med Chem Lett 26: 1044-7 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.031
BindingDB Entry DOI: 10.7270/Q2MC91V1
More data for this
Ligand-Target Pair
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