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BDBM50426246 CHEMBL2312368

SMILES: CN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1

InChI Key: InChIKey=KBFDMWOMIBRCFI-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50426246   
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))
BDBM50426246
PNG
(CHEMBL2312368)
Show SMILES CN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H25NO4S/c1-23-14-12-20(18-6-4-3-5-7-18)21(16-23)22(24)27-15-13-17-8-10-19(11-9-17)28(2,25)26/h3-11H,12-16H2,1-2H3
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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50426246
PNG
(CHEMBL2312368)
Show SMILES CN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C22H25NO4S/c1-23-14-12-20(18-6-4-3-5-7-18)21(16-23)22(24)27-15-13-17-8-10-19(11-9-17)28(2,25)26/h3-11H,12-16H2,1-2H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
510n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells


J Med Chem 56: 1693-703 (2013)


Article DOI: 10.1021/jm301774u
BindingDB Entry DOI: 10.7270/Q2765GN2
More data for this
Ligand-Target Pair