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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50042261   
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423046
PNG
(CHEMBL234972)
Show SMILES CCCOC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C
Show InChI InChI=1S/C16H25NO4/c1-7-8-20-15(19)13-10(2)12(9-17-13)14(18)21-11(3)16(4,5)6/h9,11,17H,7-8H2,1-6H3/t11-/m0/s1
PDB

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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423047
PNG
(CHEMBL396593)
Show SMILES CCOC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:11:12:16.15:18|
Show InChI InChI=1S/C16H21NO4/c1-3-20-16(19)14-9(2)12(8-17-14)15(18)21-13-7-10-4-5-11(13)6-10/h8,10-11,13,17H,3-7H2,1-2H3
PDB

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antibodypedia
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CHEMBL
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PC sid
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PubMed
n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423045
PNG
(CHEMBL233708)
Show SMILES COCCNC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C
Show InChI InChI=1S/C16H26N2O4/c1-10-12(15(20)22-11(2)16(3,4)5)9-18-13(10)14(19)17-7-8-21-6/h9,11,18H,7-8H2,1-6H3,(H,17,19)/t11-/m0/s1
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PubMed
n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423050
PNG
(CHEMBL396594)
Show SMILES CCOC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:12:13:17.16:19|
Show InChI InChI=1S/C17H23NO4/c1-4-21-17(20)15-9(2)14(10(3)18-15)16(19)22-13-8-11-5-6-12(13)7-11/h11-13,18H,4-8H2,1-3H3
PDB

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antibodypedia
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423052
PNG
(CHEMBL233710)
Show SMILES COCCNC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:13:14:18.17:20|
Show InChI InChI=1S/C17H24N2O4/c1-10-13(9-19-15(10)16(20)18-5-6-22-2)17(21)23-14-8-11-3-4-12(14)7-11/h9,11-12,14,19H,3-8H2,1-2H3,(H,18,20)
PDB

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PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423051
PNG
(CHEMBL233709)
Show SMILES CC(=O)NCCCCNC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:17:18:22.21:24|
Show InChI InChI=1S/C20H29N3O4/c1-12-16(20(26)27-17-10-14-5-6-15(17)9-14)11-23-18(12)19(25)22-8-4-3-7-21-13(2)24/h11,14-15,17,23H,3-10H2,1-2H3,(H,21,24)(H,22,25)
PDB

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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423048
PNG
(CHEMBL428850)
Show SMILES COCCNC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:14:15:19.18:21|
Show InChI InChI=1S/C18H26N2O4/c1-10-15(11(2)20-16(10)17(21)19-6-7-23-3)18(22)24-14-9-12-4-5-13(14)8-12/h12-14,20H,4-9H2,1-3H3,(H,19,21)
PDB

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Article
PubMed
n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423049
PNG
(CHEMBL233914)
Show SMILES CC(=O)NCCCCNC(=O)c1[nH]c(C)c(C(=O)OC2CC3CCC2C3)c1C |TLB:18:19:23.22:25|
Show InChI InChI=1S/C21H31N3O4/c1-12-18(21(27)28-17-11-15-6-7-16(17)10-15)13(2)24-19(12)20(26)23-9-5-4-8-22-14(3)25/h15-17,24H,4-11H2,1-3H3,(H,22,25)(H,23,26)
PDB

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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair