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BDBM50095677 2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-thiophen-3-ylmethyl-piperidin-4-yl)-acetamide::CHEMBL358193

SMILES: OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1

InChI Key: InChIKey=DUJZVZNVMYQVAM-UHFFFAOYSA-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 = 50095677   
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))
BDBM50095677
PNG
(2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-thiophen-3-y...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O2S/c26-22(23(27,20-8-4-5-9-20)19-6-2-1-3-7-19)24-21-10-13-25(14-11-21)16-18-12-15-28-17-18/h1-3,6-7,12,15,17,20-21,27H,4-5,8-11,13-14,16H2,(H,24,26)
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PC cid
PC sid
UniChem

Similars

PubMed
3.60n/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 M1


(Homo sapiens (Human))
BDBM50095677
PNG
(2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-thiophen-3-y...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O2S/c26-22(23(27,20-8-4-5-9-20)19-6-2-1-3-7-19)24-21-10-13-25(14-11-21)16-18-12-15-28-17-18/h1-3,6-7,12,15,17,20-21,27H,4-5,8-11,13-14,16H2,(H,24,26)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
9n/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 M2


(Homo sapiens (Human))
BDBM50095677
PNG
(2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-thiophen-3-y...)
Show SMILES OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H30N2O2S/c26-22(23(27,20-8-4-5-9-20)19-6-2-1-3-7-19)24-21-10-13-25(14-11-21)16-18-12-15-28-17-18/h1-3,6-7,12,15,17,20-21,27H,4-5,8-11,13-14,16H2,(H,24,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
79n/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