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Compile Data Set for Download or QSAR

Found 21 hits of ki for UniProtKB: P31421   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 2/3


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50244219
PNG
(CHEMBL4081453)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)c1cccc(OC)c1)C(O)=O |r|
Show InChI InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1
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106n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from mGlu2/3 receptor in Sprague-Dawley rat forebrain primary cortical membranes after 90 mins by liquid scintillation ...


J Med Chem 61: 2303-2328 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01481
BindingDB Entry DOI: 10.7270/Q2W95CM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2/3


(Rattus norvegicus-Rattus norvegicus (Rat))
BDBM50056272
PNG
((1S,2S,5R,6S)-2-Amino-bicyclo[3.1.0]hexane-2,6-dic...)
Show SMILES N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
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476n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from mGlu2/3 receptor in Sprague-Dawley rat forebrain primary cortical membranes after 90 mins by liquid scintillation ...


J Med Chem 61: 2303-2328 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01481
BindingDB Entry DOI: 10.7270/Q2W95CM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078235
PNG
(2-(2,4-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1ccc(Cl)cc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-22(24(31)33-12-11-29(2)3)23(18-7-5-6-8-20(18)32-4)30-14-21(34-25(30)28-15)17-10-9-16(26)13-19(17)27/h5-10,13-14,23H,11-12H2,1-4H3
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078228
PNG
(2-(2,6-Dichloro-phenyl)-7-ethyl-5-(2-methoxy-pheny...)
Show SMILES CCC1=C(C(N2C=C(SC2=N1)c1c(Cl)cccc1Cl)c1ccccc1OC)C(=O)OCCN(C)C |c:6,10,t:2|
Show InChI InChI=1S/C26H27Cl2N3O3S/c1-5-19-23(25(32)34-14-13-30(2)3)24(16-9-6-7-12-20(16)33-4)31-15-21(35-26(31)29-19)22-17(27)10-8-11-18(22)28/h6-12,15,24H,5,13-14H2,1-4H3
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078226
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-21(24(31)33-13-12-29(2)3)23(16-8-5-6-11-19(16)32-4)30-14-20(34-25(30)28-15)22-17(26)9-7-10-18(22)27/h5-11,14,23H,12-13H2,1-4H3
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1.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078237
PNG
(5-(2-Chloro-phenyl)-2-(2,6-dichloro-phenyl)-7-meth...)
Show SMILES CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1Cl)c1c(Cl)cccc1Cl |c:8,14,t:11|
Show InChI InChI=1S/C24H22Cl3N3O2S/c1-14-20(23(31)32-12-11-29(2)3)22(15-7-4-5-8-16(15)25)30-13-19(33-24(30)28-14)21-17(26)9-6-10-18(21)27/h4-10,13,22H,11-12H2,1-3H3
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2.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078229
PNG
(2-(2,6-Dichloro-phenyl)-5-(3-methoxy-phenyl)-7-met...)
Show SMILES COc1cccc(c1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-21(24(31)33-12-11-29(2)3)23(16-7-5-8-17(13-16)32-4)30-14-20(34-25(30)28-15)22-18(26)9-6-10-19(22)27/h5-10,13-14,23H,11-12H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078231
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-isopropoxy-phenyl)-7-...)
Show SMILES CC(C)Oc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:13,17,20|
Show InChI InChI=1S/C27H29Cl2N3O3S/c1-16(2)35-21-12-7-6-9-18(21)25-23(26(33)34-14-13-31(4)5)17(3)30-27-32(25)15-22(36-27)24-19(28)10-8-11-20(24)29/h6-12,15-16,25H,13-14H2,1-5H3
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2.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078236
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C26H27Cl2N3O3S/c1-16-22(25(32)34-14-8-13-30(2)3)24(17-9-5-6-12-20(17)33-4)31-15-21(35-26(31)29-16)23-18(27)10-7-11-19(23)28/h5-7,9-12,15,24H,8,13-14H2,1-4H3
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2.40E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078230
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-ethoxy-phenyl)-7-meth...)
Show SMILES CCOc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:12,16,19|
Show InChI InChI=1S/C26H27Cl2N3O3S/c1-5-33-20-12-7-6-9-17(20)24-22(25(32)34-14-13-30(3)4)16(2)29-26-31(24)15-21(35-26)23-18(27)10-8-11-19(23)28/h6-12,15,24H,5,13-14H2,1-4H3
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3.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078239
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-fluoro-phenyl)-7-meth...)
Show SMILES CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1F)c1c(Cl)cccc1Cl |c:8,14,t:11|
Show InChI InChI=1S/C24H22Cl2FN3O2S/c1-14-20(23(31)32-12-11-29(2)3)22(15-7-4-5-10-18(15)27)30-13-19(33-24(30)28-14)21-16(25)8-6-9-17(21)26/h4-10,13,22H,11-12H2,1-3H3
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3.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078232
PNG
(2-(2,6-Dichloro-phenyl)-7-isopropyl-5-(2-methoxy-p...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C(C)C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,20|
Show InChI InChI=1S/C27H29Cl2N3O3S/c1-16(2)24-23(26(33)35-14-13-31(3)4)25(17-9-6-7-12-20(17)34-5)32-15-21(36-27(32)30-24)22-18(28)10-8-11-19(22)29/h6-12,15-16,25H,13-14H2,1-5H3
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4.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078234
PNG
(2-(4-Chloro-phenyl)-5-(2-methoxy-phenyl)-7-methyl-...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1ccc(Cl)cc1 |c:11,15,18|
Show InChI InChI=1S/C25H26ClN3O3S/c1-16-22(24(30)32-14-13-28(2)3)23(19-7-5-6-8-20(19)31-4)29-15-21(33-25(29)27-16)17-9-11-18(26)12-10-17/h5-12,15,23H,13-14H2,1-4H3
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4.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078238
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1OC)c1c(Cl)cccc1Cl |c:5,11,t:8|
Show InChI InChI=1S/C23H20Cl2N2O3S/c1-4-30-22(28)19-13(2)26-23-27(21(19)14-8-5-6-11-17(14)29-3)12-18(31-23)20-15(24)9-7-10-16(20)25/h5-12,21H,4H2,1-3H3
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4.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078227
PNG
(1-[2-(2,6-dichloro-phenyl)-7-methyl-5H-thiazolo[3,...)
Show SMILES COc1ccc(cc1)C1N2C=C(SC2=NC(C)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H25Cl2N3O3S/c1-15-21(24(31)33-13-12-29(2)3)23(16-8-10-17(32-4)11-9-16)30-14-20(34-25(30)28-15)22-18(26)6-5-7-19(22)27/h5-11,14,23H,12-13H2,1-4H3
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7.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078225
PNG
(2-(2,6-Dichloro-phenyl)-7-methyl-5-o-tolyl-5H-thia...)
Show SMILES CN(C)CCOC(=O)C1=C(C)N=C2SC(=CN2C1c1ccccc1C)c1c(Cl)cccc1Cl |c:8,14,t:11|
Show InChI InChI=1S/C25H25Cl2N3O2S/c1-15-8-5-6-9-17(15)23-21(24(31)32-13-12-29(3)4)16(2)28-25-30(23)14-20(33-25)22-18(26)10-7-11-19(22)27/h5-11,14,23H,12-13H2,1-4H3
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8.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078224
PNG
(7-Benzoyl-2-(2,6-dichloro-phenyl)-5-(2-methoxy-phe...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C(=O)c2ccccc2)=C1C(=O)OCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,26|
Show InChI InChI=1S/C31H27Cl2N3O4S/c1-35(2)16-17-40-30(38)26-27(29(37)19-10-5-4-6-11-19)34-31-36(28(26)20-12-7-8-15-23(20)39-3)18-24(41-31)25-21(32)13-9-14-22(25)33/h4-15,18,28H,16-17H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50078233
PNG
(2-(2,6-Dichloro-phenyl)-5-(2-methoxy-phenyl)-7-met...)
Show SMILES COc1ccccc1C1N2C=C(SC2=NC(C)=C1C(=O)NCCN(C)C)c1c(Cl)cccc1Cl |c:11,15,18|
Show InChI InChI=1S/C25H26Cl2N4O2S/c1-15-21(24(32)28-12-13-30(2)3)23(16-8-5-6-11-19(16)33-4)31-14-20(34-25(31)29-15)22-17(26)9-7-10-18(22)27/h5-11,14,23H,12-13H2,1-4H3,(H,28,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of 1S,3R-ACPD (10 microM) -stimulated GTP gamma 35S binding on rat Metabotropic glutamate receptor 2 transfected in CHO cells


Bioorg Med Chem Lett 9: 1573-6 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5TKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1/2/3/4/5/6/7/8


(Rattus norvegicus-Rattus norvegicus (Rat)-RAT)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat 5-hydroxytryptamine 2A receptor using [3H]-DOB


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1/2/3/4/5/6/7/8


(Rattus norvegicus-Rattus norvegicus (Rat)-RAT)
BDBM50132104
PNG
(6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline |...)
Show SMILES COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
Show InChI InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1/2/3/4/5/6/7/8


(Rattus norvegicus-Rattus norvegicus (Rat)-RAT)
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
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UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
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UniChem

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair