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BDBM50219394 CHEMBL20732

SMILES: CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12

InChI Key: InChIKey=JUJQGTXZIQGMJE-FYWRMAATSA-N

Data: 5 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 5 hits for monomerid = 50219394   
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


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.08E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.20E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.23E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.41E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.78E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair