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BDBM55081 ML182::VU0400195-3::cid_46869947

SMILES: [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl

InChI Key: InChIKey=LJUABYFUJVRUSJ-KNGMQDLYSA-N

Data: 7 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 7 hits for monomerid = 55081   
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 1/2


(RAT)
BDBM55081
PNG
(ML182 | VU0400195-3 | cid_46869947)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)C2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.45E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David W...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM55081
PNG
(ML182 | VU0400195-3 | cid_46869947)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)C2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 344n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM55081
PNG
(ML182 | VU0400195-3 | cid_46869947)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)C2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 594n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms...


Citation and Details
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM55081
PNG
(ML182 | VU0400195-3 | cid_46869947)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)C2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 639n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptom...


Citation and Details
More data for this
Ligand-Target Pair
glutamate receptor, metabotropic 4 precursor


(Rattus norvegicus)
BDBM55081
PNG
(ML182 | VU0400195-3 | cid_46869947)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)C2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1
KEGG

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 380n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University The primary pathophysiological change giving rise to the symptoms...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM55081
PNG
(ML182 | VU0400195-3 | cid_46869947)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)C2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 826n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David W...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7 (mGlu7)


(Rattus norvegicus (Rat))
BDBM55081
PNG
(ML182 | VU0400195-3 | cid_46869947)
Show SMILES Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)C2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O
Show InChI InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 2.71E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assigned Assay Grant Number: NS053536-01 Screening Center Name & PI: Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters, C. David W...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair