BindingDB logo
myBDB logout

BDBM50413134 CHEMBL555707

SMILES: CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1

InChI Key: InChIKey=GMGHBSHBCGMTKY-WSRODCCKSA-O

Data: 3 IC50

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 = 50413134   
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))
BDBM50413134
PNG
(CHEMBL555707)
Show SMILES CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
Show InChI InChI=1S/C33H35F3N4O6/c1-3-44-31(42)23-7-11-25(12-8-23)38-32(43)39-27(16-21-4-9-24(10-5-21)33(34,35)36)30(41)37-26-14-15-40(2,19-26)18-22-6-13-28-29(17-22)46-20-45-28/h4-13,17,26-27H,3,14-16,18-20H2,1-2H3,(H2-,37,38,39,41,42,43)/p+1/t26-,27-,40?/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50413134
PNG
(CHEMBL555707)
Show SMILES CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
Show InChI InChI=1S/C33H35F3N4O6/c1-3-44-31(42)23-7-11-25(12-8-23)38-32(43)39-27(16-21-4-9-24(10-5-21)33(34,35)36)30(41)37-26-14-15-40(2,19-26)18-22-6-13-28-29(17-22)46-20-45-28/h4-13,17,26-27H,3,14-16,18-20H2,1-2H3,(H2-,37,38,39,41,42,43)/p+1/t26-,27-,40?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50413134
PNG
(CHEMBL555707)
Show SMILES CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|
Show InChI InChI=1S/C33H35F3N4O6/c1-3-44-31(42)23-7-11-25(12-8-23)38-32(43)39-27(16-21-4-9-24(10-5-21)33(34,35)36)30(41)37-26-14-15-40(2,19-26)18-22-6-13-28-29(17-22)46-20-45-28/h4-13,17,26-27H,3,14-16,18-20H2,1-2H3,(H2-,37,38,39,41,42,43)/p+1/t26-,27-,40?/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of...


Bioorg Med Chem Lett 18: 5481-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.020
BindingDB Entry DOI: 10.7270/Q23B61CM
More data for this
Ligand-Target Pair