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BDBM50355611 CHEMBL1910849

SMILES: CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(CC1)Oc1ccccc1

InChI Key: InChIKey=JCZWHTSVKJZFOP-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 = 50355611   
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))
BDBM50355611
PNG
(CHEMBL1910849)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C30H36N2O2/c1-29(2,32-22-18-27(19-23-32)34-26-16-10-5-11-17-26)20-21-30(28(31)33,24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,18-23H2,1-2H3,(H2,31,33)
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KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant M3 receptor expressed in CHO-K1 cells assessed as inhibition of carbamoyl choline-induced calcium currents a...


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50355611
PNG
(CHEMBL1910849)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C30H36N2O2/c1-29(2,32-22-18-27(19-23-32)34-26-16-10-5-11-17-26)20-21-30(28(31)33,24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,18-23H2,1-2H3,(H2,31,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M2 receptor expressed in CHO cells after 2 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50355611
PNG
(CHEMBL1910849)
Show SMILES CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C30H36N2O2/c1-29(2,32-22-18-27(19-23-32)34-26-16-10-5-11-17-26)20-21-30(28(31)33,24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,18-23H2,1-2H3,(H2,31,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human recombinant M3 receptor expressed in CHO cells after 2 hrs by filter binding assay


J Med Chem 54: 6888-904 (2011)


Article DOI: 10.1021/jm200884j
BindingDB Entry DOI: 10.7270/Q2CZ37JW
More data for this
Ligand-Target Pair