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BDBM50129257 CHEMBL3629537

SMILES: COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1

InChI Key: InChIKey=IHSFSTYDYRRQHL-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50129257   
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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50129257
PNG
(CHEMBL3629537)
Show SMILES COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-25-15-13-23(14-16-25,20-6-4-3-5-7-20)18-24-22(26)28-17-12-19-8-10-21(27-2)11-9-19/h3-11H,12-18H2,1-2H3,(H,24,26)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.05E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.029
BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50129257
PNG
(CHEMBL3629537)
Show SMILES COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-25-15-13-23(14-16-25,20-6-4-3-5-7-20)18-24-22(26)28-17-12-19-8-10-21(27-2)11-9-19/h3-11H,12-18H2,1-2H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.029
BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50129257
PNG
(CHEMBL3629537)
Show SMILES COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-25-15-13-23(14-16-25,20-6-4-3-5-7-20)18-24-22(26)28-17-12-19-8-10-21(27-2)11-9-19/h3-11H,12-18H2,1-2H3,(H,24,26)
Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.91E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells after 2 hrs by liquid scintillation spectrometry analysis


Bioorg Med Chem Lett 25: 5032-5 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.029
BindingDB Entry DOI: 10.7270/Q2S75J4G
More data for this
Ligand-Target Pair