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Compile Data Set for Download or QSAR

Found 861 hits with Last Name = 'dawson' and Initial = 'g'   
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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365815
PNG
(CHEMBL1956994)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Br)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365814
PNG
(CHEMBL1956993)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc5ncsc5c4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C24H27N5O2S/c1-15(2)28-10-4-5-17(12-28)13-29-16(3)26-20-8-9-22(27-23(20)24(29)30)31-18-6-7-19-21(11-18)32-14-25-19/h6-9,11,14-15,17H,4-5,10,12-13H2,1-3H3/t17-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365831
PNG
(CHEMBL1957010)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Br)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C22H25BrFN5O2/c1-13(2)28-8-4-5-15(11-28)12-29-14(3)26-21-20(22(29)30)27-19(10-25-21)31-18-7-6-16(23)9-17(18)24/h6-7,9-10,13,15H,4-5,8,11-12H2,1-3H3/t15-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365822
PNG
(CHEMBL1957001)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5ncsc5c4)cc3c2=O)C1 |r|
Show InChI InChI=1S/C24H27N5O2S/c1-15(2)28-8-4-5-17(12-28)13-29-16(3)27-21-11-25-23(10-19(21)24(29)30)31-18-6-7-20-22(9-18)32-14-26-20/h6-7,9-11,14-15,17H,4-5,8,12-13H2,1-3H3/t17-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176773
PNG
(7-tert-butyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143096
PNG
(3-Phenyl-6-(pyridazin-3-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cccnn1
Show InChI InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2
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0.150n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365809
PNG
(CHEMBL1956990)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Br)cc4F)cc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26BrFN4O2/c1-14(2)28-8-4-5-16(12-28)13-29-15(3)27-22-19(23(29)30)10-18(11-26-22)31-21-7-6-17(24)9-20(21)25/h6-7,9-11,14,16H,4-5,8,12-13H2,1-3H3/t16-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143104
PNG
(6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...)
Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365820
PNG
(CHEMBL1956999)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc(Cl)cc4F)cc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26ClFN4O2/c1-14(2)28-8-4-5-16(12-28)13-29-15(3)27-20-11-26-22(10-18(20)23(29)30)31-21-7-6-17(24)9-19(21)25/h6-7,9-11,14,16H,4-5,8,12-13H2,1-3H3/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365812
PNG
(CHEMBL1956991)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26ClFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143104
PNG
(6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...)
Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3
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0.220n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365828
PNG
(CHEMBL1957007)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc5ncsc5c4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C23H26N6O2S/c1-14(2)28-8-4-5-16(11-28)12-29-15(3)26-22-21(23(29)30)27-20(10-24-22)31-17-6-7-18-19(9-17)32-13-25-18/h6-7,9-10,13-14,16H,4-5,8,11-12H2,1-3H3/t16-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.270n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365830
PNG
(CHEMBL1957009)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(cc4)-c4ccccc4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C28H31N5O2/c1-19(2)32-15-7-8-21(17-32)18-33-20(3)30-27-26(28(33)34)31-25(16-29-27)35-24-13-11-23(12-14-24)22-9-5-4-6-10-22/h4-6,9-14,16,19,21H,7-8,15,17-18H2,1-3H3/t21-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365821
PNG
(CHEMBL1957000)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5OCOc5c4)cc3c2=O)C1 |r|
Show InChI InChI=1S/C24H28N4O4/c1-15(2)27-8-4-5-17(12-27)13-28-16(3)26-20-11-25-23(10-19(20)24(28)29)32-18-6-7-21-22(9-18)31-14-30-21/h6-7,9-11,15,17H,4-5,8,12-14H2,1-3H3/t17-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143107
PNG
(3-Phenyl-6-(pyridin-4-ylmethoxy)-[1,2,4]triazolo[3...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143105
PNG
(6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1
Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143115
PNG
(3-Phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176772
PNG
(7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176773
PNG
(7-tert-butyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3
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0.360n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143140
PNG
(3-Phenyl-6-(pyrazin-2-ylmethoxy)-[1,2,4]triazolo[3...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cnccn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2
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0.360n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143136
PNG
(10-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]...)
Show SMILES Cc1cccc2c(OCc3ccccn3)nn3c(nnc3c12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3
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0.370n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143096
PNG
(3-Phenyl-6-(pyridazin-3-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cccnn1
Show InChI InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2
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0.370n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176772
PNG
(7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143090
PNG
(3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...)
Show SMILES C(Oc1nn2c(nnc2c2CCCCc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C21H19N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-3,6-10,13H,4-5,11-12,14H2
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0.380n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50149423
PNG
(5,6-dimethyl-2-pyridyl[6-(3-methyl-1,2,4-oxadiazol...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccc(C)c(C)n3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;2.46,-8.83,;3.79,-6.51,;5.12,-7.26,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3
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0.390n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067424
PNG
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365818
PNG
(CHEMBL1956997)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(cc4)-c4ccccc4)nc3c2=O)C1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-20(2)32-17-7-8-22(18-32)19-33-21(3)30-26-15-16-27(31-28(26)29(33)34)35-25-13-11-24(12-14-25)23-9-5-4-6-10-23/h4-6,9-16,20,22H,7-8,17-19H2,1-3H3/t22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50149428
PNG
(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3
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0.440n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067424
PNG
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365824
PNG
(CHEMBL1957003)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3cnc(Oc4ccc5n(C)cnc5c4)cc3c2=O)C1 |r|
Show InChI InChI=1S/C25H30N6O2/c1-16(2)30-9-5-6-18(13-30)14-31-17(3)28-22-12-26-24(11-20(22)25(31)32)33-19-7-8-23-21(10-19)27-15-29(23)4/h7-8,10-12,15-16,18H,5-6,9,13-14H2,1-4H3/t18-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143088
PNG
(3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50110705
PNG
(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1ccccn1
Show InChI InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand


J Med Chem 46: 2227-40 (2003)


Article DOI: 10.1021/jm020582q
BindingDB Entry DOI: 10.7270/Q2BK1BP2
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50110705
PNG
(3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...)
Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1ccccn1
Show InChI InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits


J Med Chem 45: 1176-9 (2002)


BindingDB Entry DOI: 10.7270/Q26Q1WKG
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143104
PNG
(6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...)
Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha4-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha2-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50365826
PNG
(CHEMBL1957005)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ncc(Oc4ccc(Cl)cc4F)nc3c2=O)C1 |r|
Show InChI InChI=1S/C22H25ClFN5O2/c1-13(2)28-8-4-5-15(11-28)12-29-14(3)26-21-20(22(29)30)27-19(10-25-21)31-18-7-6-16(23)9-17(18)24/h6-7,9-10,13,15H,4-5,8,11-12H2,1-3H3/t15-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.610n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha3-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.610n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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0.620n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50144856
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3
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0.640n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143108
PNG
(8-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]t...)
Show SMILES Cc1ccc2c3nnc(-c4ccccc4)n3nc(OCc3ccccn3)c2c1
Show InChI InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3
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0.640n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.660n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha5-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.660n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
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