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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'batchelor' and Initial = 'jd'   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50554405
PNG
(CHEMBL4759685)
Show SMILES [H][C@@]1(CCNC[C@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50554403
PNG
(CHEMBL4750046)
Show SMILES [H][C@@]1(CCNC[C@@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
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UniChem
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50554404
PNG
(CHEMBL4745141)
Show SMILES [H][C@]1(CCNC[C@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50554401
PNG
(CHEMBL4778578)
Show SMILES C[C@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r|
PDB
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50554403
PNG
(CHEMBL4750046)
Show SMILES [H][C@@]1(CCNC[C@@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50554406
PNG
(CHEMBL4746428)
Show SMILES [H][C@]1(CCNC[C@@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
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KEGG

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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50554404
PNG
(CHEMBL4745141)
Show SMILES [H][C@]1(CCNC[C@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
MMDB

KEGG

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PC sid
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50554401
PNG
(CHEMBL4778578)
Show SMILES C[C@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r|
PDB
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KEGG

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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50554405
PNG
(CHEMBL4759685)
Show SMILES [H][C@@]1(CCNC[C@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50554400
PNG
(CHEMBL4796578)
Show SMILES C[C@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@@]1(F)CCNC1 |r|
PDB
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KEGG

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PC sid
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50554406
PNG
(CHEMBL4746428)
Show SMILES [H][C@]1(CCNC[C@@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50554402
PNG
(CHEMBL4781364)
Show SMILES C[C@@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r|
PDB
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n/an/a 68n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50554400
PNG
(CHEMBL4796578)
Show SMILES C[C@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@@]1(F)CCNC1 |r|
PDB
MMDB

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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50554399
PNG
(CHEMBL4765208)
Show SMILES C[C@@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@@]1(F)CCNC1 |r|
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 254n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50554402
PNG
(CHEMBL4781364)
Show SMILES C[C@@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
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n/an/a 515n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50554399
PNG
(CHEMBL4765208)
Show SMILES C[C@@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@@]1(F)CCNC1 |r|
PDB
MMDB

KEGG

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PIM2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554404
PNG
(CHEMBL4745141)
Show SMILES [H][C@]1(CCNC[C@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
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n/an/a 6.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554403
PNG
(CHEMBL4750046)
Show SMILES [H][C@@]1(CCNC[C@@H]1F)[C@@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554405
PNG
(CHEMBL4759685)
Show SMILES [H][C@@]1(CCNC[C@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
PDB
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554406
PNG
(CHEMBL4746428)
Show SMILES [H][C@]1(CCNC[C@@H]1F)[C@H](C)n1cc(C)c2c(Cl)cc(nc12)C(N)=O |r|
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554401
PNG
(CHEMBL4778578)
Show SMILES C[C@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r|
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n/an/a 2.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554402
PNG
(CHEMBL4781364)
Show SMILES C[C@@H](n1cc(C)c2c(Cl)cc(nc12)C(N)=O)[C@]1(F)CCNC1 |r|
PDB
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n/an/a 3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127625
BindingDB Entry DOI: 10.7270/Q2Z3239C
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50467058
PNG
(CHEMBL4278070)
Show SMILES CC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
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n/an/an/an/a 314n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50467057
PNG
(CHEMBL4295230)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3c(O2)nc(=O)cc3C)cc1 |r|
Show InChI InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-15(2)11-21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50467056
PNG
(CHEMBL4287326)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3cc(C)c(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-11-15(2)21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50467055
PNG
(CHEMBL4283963)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C20H15F3N2O3/c21-20(22,23)15-3-1-2-14(10-15)13-4-6-16(7-5-13)27-12-17-11-25-9-8-18(26)24-19(25)28-17/h1-10,17H,11-12H2/t17-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50467053
PNG
(CHEMBL4290744)
Show SMILES CC1(C)CCc2cc(OC[C@@H]3Cn4ccc(=O)nc4O3)ccc12 |r|
Show InChI InChI=1S/C18H20N2O3/c1-18(2)7-5-12-9-13(3-4-15(12)18)22-11-14-10-20-8-6-16(21)19-17(20)23-14/h3-4,6,8-9,14H,5,7,10-11H2,1-2H3/t14-/m0/s1
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PC sid
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n/an/an/an/a 250n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50467054
PNG
(CHEMBL4288731)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C21H20N2O3/c1-14-4-3-5-19(15(14)2)16-6-8-17(9-7-16)25-13-18-12-23-11-10-20(24)22-21(23)26-18/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50467053
PNG
(CHEMBL4290744)
Show SMILES CC1(C)CCc2cc(OC[C@@H]3Cn4ccc(=O)nc4O3)ccc12 |r|
Show InChI InChI=1S/C18H20N2O3/c1-18(2)7-5-12-9-13(3-4-15(12)18)22-11-14-10-20-8-6-16(21)19-17(20)23-14/h3-4,6,8-9,14H,5,7,10-11H2,1-2H3/t14-/m0/s1
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n/an/an/an/a 159n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50467052
PNG
(CHEMBL4279401)
Show SMILES CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r|
Show InChI InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3/t20-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50467058
PNG
(CHEMBL4278070)
Show SMILES CC(C)(C)c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C17H20N2O3/c1-17(2,3)12-4-6-13(7-5-12)21-11-14-10-19-9-8-15(20)18-16(19)22-14/h4-9,14H,10-11H2,1-3H3/t14-/m0/s1
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n/an/an/an/a 1.36E+3n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50467052
PNG
(CHEMBL4279401)
Show SMILES CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r|
Show InChI InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3/t20-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50467057
PNG
(CHEMBL4295230)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3c(O2)nc(=O)cc3C)cc1 |r|
Show InChI InChI=1S/C22H22N2O3/c1-14-5-4-6-20(16(14)3)17-7-9-18(10-8-17)26-13-19-12-24-15(2)11-21(25)23-22(24)27-19/h4-11,19H,12-13H2,1-3H3/t19-/m0/s1
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n/an/an/an/a 274n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50467054
PNG
(CHEMBL4288731)
Show SMILES Cc1cccc(c1C)-c1ccc(OC[C@@H]2Cn3ccc(=O)nc3O2)cc1 |r|
Show InChI InChI=1S/C21H20N2O3/c1-14-4-3-5-19(15(14)2)16-6-8-17(9-7-16)25-13-18-12-23-11-10-20(24)22-21(23)26-18/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1
PDB

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antibodypedia
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n/an/an/an/a 330n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair