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BDBM50095669 2-(3-Fluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide::CHEMBL343644

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]-[#6@H](F)-[#6]-1)c1ccccc1

InChI Key: InChIKey=MXMXMYWNGBMDEJ-HFMPRLQTSA-N

Data: 3 KI

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

Found 3 hits for monomerid = 50095669   
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))
BDBM50095669
PNG
(2-(3-Fluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-...)
Show SMILES CC(C)=CCCN1CCC(CC1)NC(=O)[C@@](O)([C@H]1CC[C@H](F)C1)c1ccccc1
Show InChI InChI=1S/C24H35FN2O2/c1-18(2)7-6-14-27-15-12-22(13-16-27)26-23(28)24(29,19-8-4-3-5-9-19)20-10-11-21(25)17-20/h3-5,7-9,20-22,29H,6,10-17H2,1-2H3,(H,26,28)/t20-,21-,24-/m0/s1
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Article
PubMed
19n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M3 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50095669
PNG
(2-(3-Fluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-...)
Show SMILES CC(C)=CCCN1CCC(CC1)NC(=O)[C@@](O)([C@H]1CC[C@H](F)C1)c1ccccc1
Show InChI InChI=1S/C24H35FN2O2/c1-18(2)7-6-14-27-15-12-22(13-16-27)26-23(28)24(29,19-8-4-3-5-9-19)20-10-11-21(25)17-20/h3-5,7-9,20-22,29H,6,10-17H2,1-2H3,(H,26,28)/t20-,21-,24-/m0/s1
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Article
PubMed
75n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M1 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50095669
PNG
(2-(3-Fluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-...)
Show SMILES CC(C)=CCCN1CCC(CC1)NC(=O)[C@@](O)([C@H]1CC[C@H](F)C1)c1ccccc1
Show InChI InChI=1S/C24H35FN2O2/c1-18(2)7-6-14-27-15-12-22(13-16-27)26-23(28)24(29,19-8-4-3-5-9-19)20-10-11-21(25)17-20/h3-5,7-9,20-22,29H,6,10-17H2,1-2H3,(H,26,28)/t20-,21-,24-/m0/s1
PDB

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Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 expressed in CHO cells


J Med Chem 43: 5017-29 (2001)


Article DOI: 10.1021/jm0003135
BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair