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BDBM50355615 CHEMBL1910845

SMILES: NC(=O)C(CCCN1CC[C@@H](C1)Oc1ccccc1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XKGBDMVXPVMRSW-VWLOTQADSA-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 = 50355615   
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))
BDBM50355615
PNG
(CHEMBL1910845)
Show SMILES NC(=O)C(CCCN1CC[C@@H](C1)Oc1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c28-26(30)27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)18-10-19-29-20-17-25(21-29)31-24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2,(H2,28,30)/t25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90n/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50355615
PNG
(CHEMBL1910845)
Show SMILES NC(=O)C(CCCN1CC[C@@H](C1)Oc1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c28-26(30)27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)18-10-19-29-20-17-25(21-29)31-24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2,(H2,28,30)/t25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/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))
BDBM50355615
PNG
(CHEMBL1910845)
Show SMILES NC(=O)C(CCCN1CC[C@@H](C1)Oc1ccccc1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H30N2O2/c28-26(30)27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)18-10-19-29-20-17-25(21-29)31-24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2,(H2,28,30)/t25-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15n/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