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2 similar compounds to monomer 50181103

Compile data set for download or QSAR
Wt: 286.4
BDBM50181105
Wt: 328.4
BDBM50209318

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50181105,50209318   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50181105
PNG
(4-(azepan-1-yl)-2-cyclopropyl-6,7,8,9-tetrahydro-5...)
Show SMILES C1CC1c1nc2NCCCCc2c(n1)N1CCCCCC1
Show InChI InChI=1S/C17H26N4/c1-2-6-12-21(11-5-1)17-14-7-3-4-10-18-16(14)19-15(20-17)13-8-9-13/h13H,1-12H2,(H,18,19,20)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



UCB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells


Bioorg Med Chem Lett 16: 1834-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.006
BindingDB Entry DOI: 10.7270/Q2TQ613B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50209318
PNG
(1-(6-(azepan-1-yl)-2-cyclopropyl-5-methylpyrimidin...)
Show SMILES Cc1c(nc(nc1N1CCCCCC1)C1CC1)N1CCCCCC1
Show InChI InChI=1S/C20H32N4/c1-16-19(23-12-6-2-3-7-13-23)21-18(17-10-11-17)22-20(16)24-14-8-4-5-9-15-24/h17H,2-15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



UCB Pharma S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human recombinant M3 muscarinic receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 3077-80 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.047
BindingDB Entry DOI: 10.7270/Q2PR7VNX
More data for this
Ligand-Target Pair