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BDBM50358173 CHEMBL1921962

SMILES: Oc1c2[C@H]3CC[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl

InChI Key: InChIKey=VTIXXVVHQFCGFF-BETUJISGSA-N

Data: 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 2 hits for monomerid = 50358173   
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 4 (mGlu4)


(Rattus norvegicus (Rat))
BDBM50358173
PNG
(CHEMBL1921962)
Show SMILES Oc1c2[C@H]3CC[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wD:3.2,6.9,c:7,THB:1:2:4.5:7.8,10:9:4.5:7.8,(26.53,-38.31,;26.23,-36.8,;27.26,-35.66,;28.79,-35.68,;29.57,-34.36,;28.81,-33.02,;27.28,-33.01,;27.27,-34.55,;28.76,-34.14,;26.51,-34.33,;24.99,-34.63,;23.86,-33.59,;24.83,-36.16,;23.51,-36.96,;22.16,-36.22,;20.85,-37.01,;20.87,-38.55,;19.55,-39.35,;18.2,-38.6,;18.18,-37.06,;16.88,-39.39,;16.91,-40.92,;15.59,-41.72,;14.24,-40.97,;14.21,-39.43,;15.53,-38.64,;22.22,-39.3,;23.54,-38.51,;24.89,-39.26,)|
Show InChI InChI=1S/C22H18ClN3O3/c23-15-11-14(25-20(27)16-3-1-2-10-24-16)8-9-17(15)26-21(28)18-12-4-5-13(7-6-12)19(18)22(26)29/h1-5,8-13,28-29H,6-7H2,(H,25,27)/t12-,13+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 246n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at rat mGlu4 receptor by thallium flux assay


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358173
PNG
(CHEMBL1921962)
Show SMILES Oc1c2[C@H]3CC[C@H](C=C3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |r,wD:3.2,6.9,c:7,THB:1:2:4.5:7.8,10:9:4.5:7.8,(26.53,-38.31,;26.23,-36.8,;27.26,-35.66,;28.79,-35.68,;29.57,-34.36,;28.81,-33.02,;27.28,-33.01,;27.27,-34.55,;28.76,-34.14,;26.51,-34.33,;24.99,-34.63,;23.86,-33.59,;24.83,-36.16,;23.51,-36.96,;22.16,-36.22,;20.85,-37.01,;20.87,-38.55,;19.55,-39.35,;18.2,-38.6,;18.18,-37.06,;16.88,-39.39,;16.91,-40.92,;15.59,-41.72,;14.24,-40.97,;14.21,-39.43,;15.53,-38.64,;22.22,-39.3,;23.54,-38.51,;24.89,-39.26,)|
Show InChI InChI=1S/C22H18ClN3O3/c23-15-11-14(25-20(27)16-3-1-2-10-24-16)8-9-17(15)26-21(28)18-12-4-5-13(7-6-12)19(18)22(26)29/h1-5,8-13,28-29H,6-7H2,(H,25,27)/t12-,13+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 287n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGlu4 receptor expressed in CHO cells expressing Gqi5 by calcium mobilization assay


J Med Chem 54: 7639-47 (2011)


Article DOI: 10.1021/jm200956q
BindingDB Entry DOI: 10.7270/Q25Q4WHD
More data for this
Ligand-Target Pair