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SMILES: O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1

InChI Key: InChIKey=RNBJISATPAUHAD-KEKNWZKVSA-N

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 = 50175569   
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)
BDBM50175569
PNG
(1-Phenyl-1,2,3,4-tetrahydro-quinoline-2-carboxylic...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 |wD:3.2,(13.54,-1.45,;13.56,.09,;14.91,.84,;16.24,.05,;16.21,-1.51,;17.53,-2.3,;18.24,-1.18,;16.84,-.48,;17.59,.8,;18.91,-.01,;18.89,-1.56,;12.23,.88,;12.25,2.38,;10.97,3.16,;9.67,2.43,;8.4,3.18,;7.09,2.45,;7.06,.98,;8.35,.2,;9.65,.93,;10.93,.16,;10.9,-1.38,;12.23,-2.17,;12.2,-3.71,;10.84,-4.48,;9.52,-3.68,;9.54,-2.13,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-22-16-24-14-12-18(22)13-15-24)21-11-10-17-6-4-5-9-20(17)25(21)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21?,22-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.40n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine


J Med Chem 48: 6597-606 (2005)


Article DOI: 10.1021/jm050099q
BindingDB Entry DOI: 10.7270/Q2NP257C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50175569
PNG
(1-Phenyl-1,2,3,4-tetrahydro-quinoline-2-carboxylic...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 |wD:3.2,(13.54,-1.45,;13.56,.09,;14.91,.84,;16.24,.05,;16.21,-1.51,;17.53,-2.3,;18.24,-1.18,;16.84,-.48,;17.59,.8,;18.91,-.01,;18.89,-1.56,;12.23,.88,;12.25,2.38,;10.97,3.16,;9.67,2.43,;8.4,3.18,;7.09,2.45,;7.06,.98,;8.35,.2,;9.65,.93,;10.93,.16,;10.9,-1.38,;12.23,-2.17,;12.2,-3.71,;10.84,-4.48,;9.52,-3.68,;9.54,-2.13,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-22-16-24-14-12-18(22)13-15-24)21-11-10-17-6-4-5-9-20(17)25(21)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21?,22-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
26n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat salivary gland muscarinic acetylcholine receptor M3 using [3H]N-methylscopolamine


J Med Chem 48: 6597-606 (2005)


Article DOI: 10.1021/jm050099q
BindingDB Entry DOI: 10.7270/Q2NP257C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50175569
PNG
(1-Phenyl-1,2,3,4-tetrahydro-quinoline-2-carboxylic...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 |wD:3.2,(13.54,-1.45,;13.56,.09,;14.91,.84,;16.24,.05,;16.21,-1.51,;17.53,-2.3,;18.24,-1.18,;16.84,-.48,;17.59,.8,;18.91,-.01,;18.89,-1.56,;12.23,.88,;12.25,2.38,;10.97,3.16,;9.67,2.43,;8.4,3.18,;7.09,2.45,;7.06,.98,;8.35,.2,;9.65,.93,;10.93,.16,;10.9,-1.38,;12.23,-2.17,;12.2,-3.71,;10.84,-4.48,;9.52,-3.68,;9.54,-2.13,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-22-16-24-14-12-18(22)13-15-24)21-11-10-17-6-4-5-9-20(17)25(21)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21?,22-/m0/s1
PDB

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B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
140n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat heart muscarinic acetylcholine receptor M2 using [3H]quinuclidinyl benzilate


J Med Chem 48: 6597-606 (2005)


Article DOI: 10.1021/jm050099q
BindingDB Entry DOI: 10.7270/Q2NP257C
More data for this
Ligand-Target Pair