BindingDB logo
myBDB logout

null

SMILES: CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C

InChI Key: InChIKey=GCLKZSBEVYSDDQ-UHFFFAOYSA-N

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 5 hits for monomerid = 50473810   
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 M4


(Homo sapiens (Human))
BDBM50473810
PNG
(CHEMBL280220)
Show SMILES CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
Show InChI InChI=1S/C26H30N2O3S/c1-5-7-20-24(26(29)30-6-2)23-19-15-28-13-12-16-14-17(32-4)8-9-18(16)25(28)31-22(19)11-10-21(23)27(20)3/h8-11,14,25H,5-7,12-13,15H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M4 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50473810
PNG
(CHEMBL280220)
Show SMILES CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
Show InChI InChI=1S/C26H30N2O3S/c1-5-7-20-24(26(29)30-6-2)23-19-15-28-13-12-16-14-17(32-4)8-9-18(16)25(28)31-22(19)11-10-21(23)27(20)3/h8-11,14,25H,5-7,12-13,15H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
229n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M3 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50473810
PNG
(CHEMBL280220)
Show SMILES CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
Show InChI InChI=1S/C26H30N2O3S/c1-5-7-20-24(26(29)30-6-2)23-19-15-28-13-12-16-14-17(32-4)8-9-18(16)25(28)31-22(19)11-10-21(23)27(20)3/h8-11,14,25H,5-7,12-13,15H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M5 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50473810
PNG
(CHEMBL280220)
Show SMILES CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
Show InChI InChI=1S/C26H30N2O3S/c1-5-7-20-24(26(29)30-6-2)23-19-15-28-13-12-16-14-17(32-4)8-9-18(16)25(28)31-22(19)11-10-21(23)27(20)3/h8-11,14,25H,5-7,12-13,15H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.31E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]NMS binding to human muscarinic acetylcholine receptor M1 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50473810
PNG
(CHEMBL280220)
Show SMILES CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C
Show InChI InChI=1S/C26H30N2O3S/c1-5-7-20-24(26(29)30-6-2)23-19-15-28-13-12-16-14-17(32-4)8-9-18(16)25(28)31-22(19)11-10-21(23)27(20)3/h8-11,14,25H,5-7,12-13,15H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NMS binding to human muscarinic acetylcholine receptor M2 in transfected CHO cells.


J Med Chem 45: 3094-102 (2002)


Article DOI: 10.1021/jm011116o
BindingDB Entry DOI: 10.7270/Q2BZ68S8
More data for this
Ligand-Target Pair