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BDBM50095680 2-Cyclopentyl-2-hydroxy-N-[1-(5-methyl-thiophen-3-ylmethyl)-piperidin-4-yl]-2-phenyl-acetamide::CHEMBL356305

SMILES: Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1

InChI Key: InChIKey=HEPQZYCRJHNVCR-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50095680   
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))
BDBM50095680
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(5-methyl-thiophen-3-...)
Show SMILES Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1
Show InChI InChI=1S/C24H32N2O2S/c1-18-15-19(17-29-18)16-26-13-11-22(12-14-26)25-23(27)24(28,21-9-5-6-10-21)20-7-3-2-4-8-20/h2-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,1H3,(H,25,27)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
2.10n/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)


BindingDB Entry DOI: 10.7270/Q2HM57P7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50095680
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(5-methyl-thiophen-3-...)
Show SMILES Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1
Show InChI InChI=1S/C24H32N2O2S/c1-18-15-19(17-29-18)16-26-13-11-22(12-14-26)25-23(27)24(28,21-9-5-6-10-21)20-7-3-2-4-8-20/h2-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,1H3,(H,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
PubMed
3.5n/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)


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


(Homo sapiens (Human))
BDBM50095680
PNG
(2-Cyclopentyl-2-hydroxy-N-[1-(5-methyl-thiophen-3-...)
Show SMILES Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1
Show InChI InChI=1S/C24H32N2O2S/c1-18-15-19(17-29-18)16-26-13-11-22(12-14-26)25-23(27)24(28,21-9-5-6-10-21)20-7-3-2-4-8-20/h2-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,1H3,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
24n/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)


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