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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic receptor M1' and Ligand = 'BDBM39341'   
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 receptor M1


(Bos taurus)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
KEGG

UniProtKB/TrEMBL

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CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
3.60n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum


J Med Chem 31: 1463-6 (1988)


BindingDB Entry DOI: 10.7270/Q2DV1KGN
More data for this
Ligand-Target Pair
Muscarinic receptor M1


(Bos taurus)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
170n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to cerebral cortex membranes which contain predominantly the muscarinic acetylcholine receptor M1


J Med Chem 32: 1522-8 (1989)


BindingDB Entry DOI: 10.7270/Q2VQ3374
More data for this
Ligand-Target Pair