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BDBM50092996 1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-phenyl]-ethyl}-piperazine::CHEMBL310912

SMILES: COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1

InChI Key: InChIKey=AWMYFVQONDTWPK-UHFFFAOYSA-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 = 50092996   
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 M2


(Homo sapiens (Human))
BDBM50092996
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50092996
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against human cloned Muscarinic acetylcholine receptor M2.


Bioorg Med Chem Lett 12: 791-4 (2002)


BindingDB Entry DOI: 10.7270/Q2VH5N5J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50092996
PNG
(1-Cyclohexyl-4-{1-[4-(4-methoxy-benzenesulfonyl)-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H34N2O3S/c1-20(26-16-18-27(19-17-26)22-6-4-3-5-7-22)21-8-12-24(13-9-21)31(28,29)25-14-10-23(30-2)11-15-25/h8-15,20,22H,3-7,16-19H2,1-2H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards the cloned human Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 10: 2255-7 (2001)


BindingDB Entry DOI: 10.7270/Q2TD9WMF
More data for this
Ligand-Target Pair