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BDBM50129395 (R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-piperidin-4-yl-acetamide::CHEMBL69383

SMILES: O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCNCC1)c1ccccc1

InChI Key: InChIKey=JQRGZCIIOMPAEJ-KDOFPFPSSA-N

Data: 3 KI

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 = 50129395   
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


(Homo sapiens (Human))
BDBM50129395
PNG
((R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-p...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-15-7-10-21-11-8-15/h1-5,14-15,21,24H,6-12H2,(H,22,23)/t14-,18+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
310n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Muscarinic acetylcholine receptor M1 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50129395
PNG
((R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-p...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-15-7-10-21-11-8-15/h1-5,14-15,21,24H,6-12H2,(H,22,23)/t14-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
320n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M3 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50129395
PNG
((R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-p...)
Show SMILES O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H24F2N2O2/c19-17(20)9-6-14(12-17)18(24,13-4-2-1-3-5-13)16(23)22-15-7-10-21-11-8-15/h1-5,14-15,21,24H,6-12H2,(H,22,23)/t14-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human muscarinic acetylcholine receptor M2 in transfected CHO cells


Bioorg Med Chem Lett 13: 2167-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00350-0
BindingDB Entry DOI: 10.7270/Q29G5M68
More data for this
Ligand-Target Pair