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BDBM50176710 (S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol::CHEMBL371734

SMILES: CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=VBKBVALDNMYEBZ-DHIUTWEWSA-N

Data: 2 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 3 hits for monomerid = 50176710   
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


(Homo sapiens (Human))
BDBM50176710
PNG
((S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(13.9,-6.16,;15.38,-6.55,;15.79,-8.04,;15.99,-9.42,;17.52,-8.76,;18.88,-9.39,;18.61,-8,;17.26,-7.4,;17.33,-5.76,;17.77,-6.87,;14.3,-8.44,;12.81,-8.83,;11.32,-9.23,;10.92,-7.74,;11.71,-10.71,;10.61,-11.8,;11,-13.27,;12.48,-13.68,;13.57,-12.6,;13.18,-11.11,;9.83,-9.62,;8.73,-8.53,;7.25,-8.93,;6.85,-10.42,;7.94,-11.51,;9.42,-11.11,)|
Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23-/m1/s1
Reactome pathway
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PC cid
PC sid
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Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50176710
PNG
((S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(13.9,-6.16,;15.38,-6.55,;15.79,-8.04,;15.99,-9.42,;17.52,-8.76,;18.88,-9.39,;18.61,-8,;17.26,-7.4,;17.33,-5.76,;17.77,-6.87,;14.3,-8.44,;12.81,-8.83,;11.32,-9.23,;10.92,-7.74,;11.71,-10.71,;10.61,-11.8,;11,-13.27,;12.48,-13.68,;13.57,-12.6,;13.18,-11.11,;9.83,-9.62,;8.73,-8.53,;7.25,-8.93,;6.85,-10.42,;7.94,-11.51,;9.42,-11.11,)|
Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Cavia porcellus)
BDBM50176710
PNG
((S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,2.1,wD:12.13,2.11,THB:1:2:5.6:9.8,(13.9,-6.16,;15.38,-6.55,;15.79,-8.04,;15.99,-9.42,;17.52,-8.76,;18.88,-9.39,;18.61,-8,;17.26,-7.4,;17.33,-5.76,;17.77,-6.87,;14.3,-8.44,;12.81,-8.83,;11.32,-9.23,;10.92,-7.74,;11.71,-10.71,;10.61,-11.8,;11,-13.27,;12.48,-13.68,;13.57,-12.6,;13.18,-11.11,;9.83,-9.62,;8.73,-8.53,;7.25,-8.93,;6.85,-10.42,;7.94,-11.51,;9.42,-11.11,)|
Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23-/m1/s1
MMDB

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Article
PubMed
n/an/an/a 1.60n/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Antagonism in muscarinic M3 receptor in guinea pig left atria


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair