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BDBM50046723 5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA::CHEMBL277014

SMILES: Cc1noc(n1)C1CNC=NC1

InChI Key: InChIKey=SBTJKJXNBNKFHR-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50046723   
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
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50046723
PNG
(5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES Cc1noc(n1)C1CNC=NC1 |c:10|
Show InChI InChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-...


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50046723
PNG
(5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES Cc1noc(n1)C1CNC=NC1 |c:10|
Show InChI InChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-(R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the presence of 300 uM GTP-gamma-S


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50046723
PNG
(5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES Cc1noc(n1)C1CNC=NC1 |c:10|
Show InChI InChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity (high) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma...


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50046723
PNG
(5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES Cc1noc(n1)C1CNC=NC1 |c:10|
Show InChI InChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Inhibition of [3H]-(R)-QNB binding to muscarinic receptors of rat brain membranes.


J Med Chem 36: 842-7 (1993)


Article DOI: 10.1021/jm00059a008
BindingDB Entry DOI: 10.7270/Q26H4M4D
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50046723
PNG
(5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES Cc1noc(n1)C1CNC=NC1 |c:10|
Show InChI InChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.40E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50046723
PNG
(5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES Cc1noc(n1)C1CNC=NC1 |c:10|
Show InChI InChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair