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BDBM50015723 3-Hydroxy-2-phenyl-propionic acid 8-carbamimidoyl-8-aza-bicyclo[3.2.1]oct-3-yl ester; hydrochloride::CHEMBL553894

SMILES: NC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1

InChI Key: InChIKey=KPMQSOLTZZLZPX-UHFFFAOYSA-N

Data: 3 Kd

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50015723   
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


(RAT)
BDBM50015723
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-carbamimidoyl-...)
Show SMILES NC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23N3O3/c18-17(19)20-12-6-7-13(20)9-14(8-12)23-16(22)15(10-21)11-4-2-1-3-5-11/h1-5,12-15,21H,6-10H2,(H3,18,19)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 2.5n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50015723
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-carbamimidoyl-...)
Show SMILES NC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23N3O3/c18-17(19)20-12-6-7-13(20)9-14(8-12)23-16(22)15(10-21)11-4-2-1-3-5-11/h1-5,12-15,21H,6-10H2,(H3,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 7n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M1 in rat cerebral cortex was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015723
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-carbamimidoyl-...)
Show SMILES NC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23N3O3/c18-17(19)20-12-6-7-13(20)9-14(8-12)23-16(22)15(10-21)11-4-2-1-3-5-11/h1-5,12-15,21H,6-10H2,(H3,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 11n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair