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BDBM50368151 CHEMBL322582

SMILES: CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=GZXQKCMKEJCSMK-UHFFFAOYSA-N

Data: 6 KI  1 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 7 hits for monomerid = 50368151   
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


(RAT)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
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11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M1 using [3H]QNB as the radioligand


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
PDB

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PC sid
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PubMed
9.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding activity against rat muscarinic acetylcholine receptor M3 using [3H]QNB as the radioligand


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
MMDB

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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in guinea pig ileum


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human)-HUMAN M3)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
MMDB

NCI pathway
Reactome pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 9.10n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of methacholine induced phasic contraction of guinea pig ileum


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
PDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
28n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]pirenzepine binding against muscarinic acetylcholine receptor in rat brain.


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50368151
PNG
(CHEMBL322582)
Show SMILES CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31NO2/c1-29(24-13-7-3-8-14-24,25-15-9-4-10-16-25)28(31)32-27-18-23-17-26(19-27)30(21-23)20-22-11-5-2-6-12-22/h2-16,23,26-27H,17-21H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding against muscarinic acetylcholine receptor in rat heart.


J Med Chem 34: 3164-71 (1991)


Article DOI: 10.1021/jm00115a003
BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair