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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 = 'BDBM50075199'   
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))
BDBM50075199
PNG
(CHEMBL3414841)
Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1 |t:39|
Show InChI InChI=1S/C32H37FN4O4/c1-37(2,20-10-11-21-40-29-17-22-41-35-29)19-9-4-3-8-18-34-32(39)27-24-36(23-25-13-6-5-7-14-25)30-26(31(27)38)15-12-16-28(30)33/h5-7,12-16,24H,3-4,8-9,17-23H2,1-2H3/p+1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 490n/an/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay


J Med Chem 58: 560-76 (2015)


Article DOI: 10.1021/jm500860w
BindingDB Entry DOI: 10.7270/Q2125VCS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50075199
PNG
(CHEMBL3414841)
Show SMILES [Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1 |t:39|
Show InChI InChI=1S/C32H37FN4O4/c1-37(2,20-10-11-21-40-29-17-22-41-35-29)19-9-4-3-8-18-34-32(39)27-24-36(23-25-13-6-5-7-14-25)30-26(31(27)38)15-12-16-28(30)33/h5-7,12-16,24H,3-4,8-9,17-23H2,1-2H3/p+1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 178n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...


J Med Chem 58: 560-76 (2015)


Article DOI: 10.1021/jm500860w
BindingDB Entry DOI: 10.7270/Q2125VCS
More data for this
Ligand-Target Pair