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BDBM50229053 CHEMBL161364

SMILES: OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C1CCCC1

InChI Key: InChIKey=JUJXWTPQJDKQFW-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50229053   
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


(RAT)
BDBM50229053
PNG
(CHEMBL161364)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C1CCCC1
Show InChI InChI=1S/C13H19N3O.C2H2O4/c1-16-8-4-7-11(9-16)13-14-12(15-17-13)10-5-2-3-6-10;3-1(4)2(5)6/h7,10H,2-6,8-9H2,1H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 102n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity to muscarinic acetylcholine receptor site in rat brain assayed using [3H]oxotremorine-M as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229053
PNG
(CHEMBL161364)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C1CCCC1
Show InChI InChI=1S/C13H19N3O.C2H2O4/c1-16-8-4-7-11(9-16)13-14-12(15-17-13)10-5-2-3-6-10;3-1(4)2(5)6/h7,10H,2-6,8-9H2,1H3;(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
In Vitro binding affinity to the muscarinic acetylcholine receptor site in rat brain by using [3H]QNB as the radioligand.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50229053
PNG
(CHEMBL161364)
Show SMILES OC(=O)C(O)=O.CN1CCC=C(C1)c1nc(no1)C1CCCC1
Show InChI InChI=1S/C13H19N3O.C2H2O4/c1-16-8-4-7-11(9-16)13-14-12(15-17-13)10-5-2-3-6-10;3-1(4)2(5)6/h7,10H,2-6,8-9H2,1H3;(H,3,4)(H,5,6)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.


J Med Chem 34: 687-92 (1991)


Article DOI: 10.1021/jm00106a033
More data for this
Ligand-Target Pair