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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor' and Ligand = 'BDBM50229066'   
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
Muscarinic acetylcholine receptor


(RAT)
BDBM50229066
PNG
(CHEMBL350949)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(CC2CC2)no1
Show InChI InChI=1S/C12H17N3O.C2H2O4/c1-15-6-2-3-10(8-15)12-13-11(14-16-12)7-9-4-5-9;3-1(4)2(5)6/h3,9H,2,4-8H2,1H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229066
PNG
(CHEMBL350949)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(CC2CC2)no1
Show InChI InChI=1S/C12H17N3O.C2H2O4/c1-15-6-2-3-10(8-15)12-13-11(14-16-12)7-9-4-5-9;3-1(4)2(5)6/h3,9H,2,4-8H2,1H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+4n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229066
PNG
(CHEMBL350949)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(CC2CC2)no1
Show InChI InChI=1S/C12H17N3O.C2H2O4/c1-15-6-2-3-10(8-15)12-13-11(14-16-12)7-9-4-5-9;3-1(4)2(5)6/h3,9H,2,4-8H2,1H3;(H,3,4)(H,5,6)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair