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PubMed code 16337118

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
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


(RAT)
BDBM50422815
PNG
(CHEMBL383107)
Show SMILES CC(OC(=O)c1cn2CCN(CCCN3C(=O)c4ccccc4C3=O)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C26H31N3O5/c1-16-20(25(33)34-17(2)26(3,4)5)15-28-14-13-27(24(32)21(16)28)11-8-12-29-22(30)18-9-6-7-10-19(18)23(29)31/h6-7,9-10,15,17H,8,11-14H2,1-5H3
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422825
PNG
(CHEMBL444359)
Show SMILES CC(OC(=O)c1cn2CCN(CC3CC3)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C19H28N2O3/c1-12-15(18(23)24-13(2)19(3,4)5)11-20-8-9-21(10-14-6-7-14)17(22)16(12)20/h11,13-14H,6-10H2,1-5H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422824
PNG
(CHEMBL204802)
Show SMILES CC(OC(=O)c1cn2CCN(CC=C)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C18H26N2O3/c1-7-8-19-9-10-20-11-14(12(2)15(20)16(19)21)17(22)23-13(3)18(4,5)6/h7,11,13H,1,8-10H2,2-6H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422826
PNG
(CHEMBL377503)
Show SMILES CC(OC(=O)c1cn2CCN(CCF)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C17H25FN2O3/c1-11-13(16(22)23-12(2)17(3,4)5)10-20-9-8-19(7-6-18)15(21)14(11)20/h10,12H,6-9H2,1-5H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422817
PNG
(CHEMBL380698)
Show SMILES CC(OC(=O)c1cn2CCN(CC(F)F)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C17H24F2N2O3/c1-10-12(16(23)24-11(2)17(3,4)5)8-20-6-7-21(9-13(18)19)15(22)14(10)20/h8,11,13H,6-7,9H2,1-5H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422822
PNG
(CHEMBL425405)
Show SMILES CCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
Show InChI InChI=1S/C18H28N2O3/c1-7-8-19-9-10-20-11-14(12(2)15(20)16(19)21)17(22)23-13(3)18(4,5)6/h11,13H,7-10H2,1-6H3
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422827
PNG
(CHEMBL204149)
Show SMILES COCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
Show InChI InChI=1S/C18H28N2O4/c1-12-14(17(22)24-13(2)18(3,4)5)11-20-8-7-19(9-10-23-6)16(21)15(12)20/h11,13H,7-10H2,1-6H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422814
PNG
(CHEMBL204532)
Show SMILES CC(OC(=O)c1cn2CCN(Cc3ccccc3)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C22H28N2O3/c1-15-18(21(26)27-16(2)22(3,4)5)14-23-11-12-24(20(25)19(15)23)13-17-9-7-6-8-10-17/h6-10,14,16H,11-13H2,1-5H3
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422819
PNG
(CHEMBL379882)
Show SMILES CC(OC(=O)c1cn2CCN(CCCNC(=O)c3ccncc3)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C24H32N4O4/c1-16-19(23(31)32-17(2)24(3,4)5)15-28-14-13-27(22(30)20(16)28)12-6-9-26-21(29)18-7-10-25-11-8-18/h7-8,10-11,15,17H,6,9,12-14H2,1-5H3,(H,26,29)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422816
PNG
(CHEMBL202683)
Show SMILES CC(OC(=O)c1cn2CCN(CCNC(=O)OC(C)(C)C)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C22H35N3O5/c1-14-16(19(27)29-15(2)21(3,4)5)13-25-12-11-24(18(26)17(14)25)10-9-23-20(28)30-22(6,7)8/h13,15H,9-12H2,1-8H3,(H,23,28)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422823
PNG
(CHEMBL203688)
Show SMILES CCNC(=O)NCCCN1CCn2cc(C(=O)OC(C)C(C)(C)C)c(C)c2C1=O
Show InChI InChI=1S/C21H34N4O4/c1-7-22-20(28)23-9-8-10-24-11-12-25-13-16(14(2)17(25)18(24)26)19(27)29-15(3)21(4,5)6/h13,15H,7-12H2,1-6H3,(H2,22,23,28)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422818
PNG
(CHEMBL204878)
Show SMILES CC(OC(=O)c1cn2CCN(CCCNC(C)=O)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C20H31N3O4/c1-13-16(19(26)27-14(2)20(4,5)6)12-23-11-10-22(18(25)17(13)23)9-7-8-21-15(3)24/h12,14H,7-11H2,1-6H3,(H,21,24)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422821
PNG
(CHEMBL205075)
Show SMILES CC(OC(=O)c1cn2CCN(N3CCOCC3)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C19H29N3O4/c1-13-15(18(24)26-14(2)19(3,4)5)12-20-6-7-22(17(23)16(13)20)21-8-10-25-11-9-21/h12,14H,6-11H2,1-5H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422820
PNG
(CHEMBL203461)
Show SMILES CC(OC(=O)c1cn2CCN(CCCN(C)C(=O)c3ccncc3)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C25H34N4O4/c1-17-20(24(32)33-18(2)25(3,4)5)16-29-15-14-28(23(31)21(17)29)13-7-12-27(6)22(30)19-8-10-26-11-9-19/h8-11,16,18H,7,12-15H2,1-6H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%