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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 7' and Ligand = 'BDBM50280372'   
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 7


(Rattus norvegicus (Rat))
BDBM50280372
PNG
(CHEMBL4165849)
Show SMILES COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 776n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Rattus norvegicus (Rat))
BDBM50280372
PNG
(CHEMBL4165849)
Show SMILES COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme of rats.


ACS Med Chem Lett 8: 1326-1330 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00429
BindingDB Entry DOI: 10.7270/Q25X2CG2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Rattus norvegicus (Rat))
BDBM50280372
PNG
(CHEMBL4165849)
Show SMILES COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128923
BindingDB Entry DOI: 10.7270/Q2KD22VT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Rattus norvegicus (Rat))
BDBM50280372
PNG
(CHEMBL4165849)
Show SMILES COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 890n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128923
BindingDB Entry DOI: 10.7270/Q2KD22VT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50280372
PNG
(CHEMBL4165849)
Show SMILES COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.01E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128923
BindingDB Entry DOI: 10.7270/Q2KD22VT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50280372
PNG
(CHEMBL4165849)
Show SMILES COc1cc(ccc1OC(C)C)C(=O)Nc1cc(OC(F)(F)F)ccc1-n1cncn1
Show InChI InChI=1S/C20H19F3N4O4/c1-12(2)30-17-7-4-13(8-18(17)29-3)19(28)26-15-9-14(31-20(21,22)23)5-6-16(15)27-11-24-10-25-27/h4-12H,1-3H3,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128923
BindingDB Entry DOI: 10.7270/Q2KD22VT
More data for this
Ligand-Target Pair