BindingDB logo
myBDB logout

BDBM50403547 ATROPEN::ATROPINE

SMILES: CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1

InChI Key: InChIKey=RKUNBYITZUJHSG-SPUOUPEWSA-N

Data: 53 KI  4 IC50  7 Kd

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 64 hits for monomerid = 50403547   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+14n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+14n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+14n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.5n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist potency against carbachol induced contractions of isolated guinea pig ileum Muscarinic acetylcholine receptor


J Med Chem 32: 79-84 (1989)


Article DOI: 10.1021/jm00121a017
BindingDB Entry DOI: 10.7270/Q2N017RN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
n/an/an/a 0.900n/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Dissociation constant towards Muscarinic acetylcholine receptor in guinea pig ileum


J Med Chem 33: 3182-9 (1990)


Article DOI: 10.1021/jm00174a014
BindingDB Entry DOI: 10.7270/Q2QV3PR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.630n/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)


Article DOI: 10.1021/jm00170a010
BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.70n/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)


Article DOI: 10.1021/jm00170a010
BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
n/an/an/a 0.900n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Determination of dissociation constant from antimuscarinic activity on isolated guinea pig ileum.


J Med Chem 35: 285-94 (1992)


Article DOI: 10.1021/jm00080a013
BindingDB Entry DOI: 10.7270/Q28G8NXX
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.35n/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Antagonist potency against muscarinic receptors was assed by antagonism of carbachol induced inhibition of electrically stimulated guinea pig atria


J Med Chem 32: 79-84 (1989)


Article DOI: 10.1021/jm00121a017
BindingDB Entry DOI: 10.7270/Q2N017RN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]QNB from Muscarinic acetylcholine receptor in rat brain


J Med Chem 23: 865-73 (1980)


Article DOI: 10.1021/jm00182a011
BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Adrenergic Alpha


(Homo sapiens (Human))
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy


J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.30n/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)


Article DOI: 10.1021/jm00170a010
BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
<<  First   |  Previous   |  Displayed 51 to 64 (of 64 total )