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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50240694'   
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 M1


(Homo sapiens (Human))
BDBM50240694
PNG
(CHEMBL4067722)
Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r|
Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1
UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method


J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50240694
PNG
(CHEMBL4067722)
Show SMILES Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r|
Show InChI InChI=1S/C24H24N2O4/c1-15-8-19-11-26(22-6-7-29-13-23(22)27)24(28)20(19)10-18(15)9-16-2-4-17(5-3-16)21-12-30-14-25-21/h2-5,8,10,12,14,22-23,27H,6-7,9,11,13H2,1H3/t22-,23-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 47n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced cal...


J Med Chem 60: 6649-6663 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00597
BindingDB Entry DOI: 10.7270/Q2ZK5JS0
More data for this
Ligand-Target Pair