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BDBM50413105 CHEMBL555471

SMILES: CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1

InChI Key: InChIKey=DOTRMAARWOGFII-BWPQTQACNA-O

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50413105   
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))
BDBM50413105
PNG
(CHEMBL555471)
Show SMILES CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1
Show InChI InChI=1/C31H36N4O6/c1-3-41-30(39)23-8-10-24(11-9-23)33-31(40)34-28(18-21-4-12-26(36)13-5-21)29(38)32-25-16-17-35(2,20-25)19-22-6-14-27(37)15-7-22/h4-15,25,28H,3,16-20H2,1-2H3,(H4-,32,33,34,36,37,38,39,40)/p+1/t25-,28-,35?/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 39.8n/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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50413105
PNG
(CHEMBL555471)
Show SMILES CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1
Show InChI InChI=1/C31H36N4O6/c1-3-41-30(39)23-8-10-24(11-9-23)33-31(40)34-28(18-21-4-12-26(36)13-5-21)29(38)32-25-16-17-35(2,20-25)19-22-6-14-27(37)15-7-22/h4-15,25,28H,3,16-20H2,1-2H3,(H4-,32,33,34,36,37,38,39,40)/p+1/t25-,28-,35?/s2
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 251n/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))
BDBM50413105
PNG
(CHEMBL555471)
Show SMILES CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1
Show InChI InChI=1/C31H36N4O6/c1-3-41-30(39)23-8-10-24(11-9-23)33-31(40)34-28(18-21-4-12-26(36)13-5-21)29(38)32-25-16-17-35(2,20-25)19-22-6-14-27(37)15-7-22/h4-15,25,28H,3,16-20H2,1-2H3,(H4-,32,33,34,36,37,38,39,40)/p+1/t25-,28-,35?/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.31n/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