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BDBM50244208 CHEMBL4093017

SMILES: [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CC1CCCCC1)C(O)=O

InChI Key: InChIKey=AQCRJOWGCAFEAA-CTIKTKRKSA-N

Data: 2 KI  2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50244208   
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 3


(Homo sapiens (Human))
BDBM50244208
PNG
(CHEMBL4093017)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C16H24N2O5/c17-16(15(22)23)7-9(11-12(13(11)16)14(20)21)18-10(19)6-8-4-2-1-3-5-8/h8-9,11-13H,1-7,17H2,(H,18,19)(H,20,21)(H,22,23)/t9-,11-,12-,13-,16-/m0/s1
PDB

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Article
PubMed
425n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in HEK cell membranes after 90 mins by liquid scintillation counting


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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50244208
PNG
(CHEMBL4093017)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C16H24N2O5/c17-16(15(22)23)7-9(11-12(13(11)16)14(20)21)18-10(19)6-8-4-2-1-3-5-8/h8-9,11-13H,1-7,17H2,(H,18,19)(H,20,21)(H,22,23)/t9-,11-,12-,13-,16-/m0/s1
PDB

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PC sid
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PubMed
627n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in HEK cell membranes after 90 mins by liquid scintillation counting


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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50244208
PNG
(CHEMBL4093017)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C16H24N2O5/c17-16(15(22)23)7-9(11-12(13(11)16)14(20)21)18-10(19)6-8-4-2-1-3-5-8/h8-9,11-13H,1-7,17H2,(H,18,19)(H,20,21)(H,22,23)/t9-,11-,12-,13-,16-/m0/s1
PDB

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PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu3 receptor expressed in HEK cells assessed as reversal of DCG-4 inhibited forskolin-stimulated cAMP formation after ...


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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50244208
PNG
(CHEMBL4093017)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C16H24N2O5/c17-16(15(22)23)7-9(11-12(13(11)16)14(20)21)18-10(19)6-8-4-2-1-3-5-8/h8-9,11-13H,1-7,17H2,(H,18,19)(H,20,21)(H,22,23)/t9-,11-,12-,13-,16-/m0/s1
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PubMed
n/an/a 7.66E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu2 receptor expressed in HEK cells assessed as reversal of DCG-4 inhibited forskolin-stimulated cAMP formation after ...


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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50244208
PNG
(CHEMBL4093017)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C16H24N2O5/c17-16(15(22)23)7-9(11-12(13(11)16)14(20)21)18-10(19)6-8-4-2-1-3-5-8/h8-9,11-13H,1-7,17H2,(H,18,19)(H,20,21)(H,22,23)/t9-,11-,12-,13-,16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane


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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50244208
PNG
(CHEMBL4093017)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)(C[C@@H]2NC(=O)CC1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C16H24N2O5/c17-16(15(22)23)7-9(11-12(13(11)16)14(20)21)18-10(19)6-8-4-2-1-3-5-8/h8-9,11-13H,1-7,17H2,(H,18,19)(H,20,21)(H,22,23)/t9-,11-,12-,13-,16-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human mGlu3 receptor expressed in HEK cells assessed as inhibition of forskolin-stimulated cAMP formation after 20 mins by HTRF a...


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