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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor' and Ligand = 'BDBM50453023'   
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


(Homo sapiens (Human))
BDBM50453023
PNG
(CHEMBL2113669)
Show SMILES C[C@@H](N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12-,14+,16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.75E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in guinea pig ileum


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50453023
PNG
(CHEMBL2113669)
Show SMILES C[C@@H](N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12-,14+,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.15E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat brain membranes


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50453023
PNG
(CHEMBL2113669)
Show SMILES C[C@@H](N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12-,14+,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.71E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat brain.


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50453023
PNG
(CHEMBL2113669)
Show SMILES C[C@@H](N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12-,14+,16-,17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.29E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in guinea pig ileum


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50453023
PNG
(CHEMBL2113669)
Show SMILES C[C@@H](N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12-,14+,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.91E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat brain.


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50453023
PNG
(CHEMBL2113669)
Show SMILES C[C@@H](N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1
Show InChI InChI=1S/C17H23NO2/c1-12(15-6-4-3-5-7-15)18-11-14-8-16(18)10-17(9-14)20-13(2)19/h3-7,12,14,16-17H,8-11H2,1-2H3/t12-,14+,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.33E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat brain membranes


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair