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BDBM50420607 CHEMBL2087448

SMILES: Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1

InChI Key: InChIKey=MIQNWMJNRQADMN-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50420607   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50420607
PNG
(CHEMBL2087448)
Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25)
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Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha3 receptor in SH-SY5Y cells assessed as inhibition of epibatidine-induced membrane potential measured every 1 sec f...


J Med Chem 55: 4806-23 (2012)


Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50420607
PNG
(CHEMBL2087448)
Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25)
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n/an/an/an/a 1.15E+3n/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as calcium influx measured every 1 sec for 1 min followed by every 30 secs for...


J Med Chem 55: 4806-23 (2012)


Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50420607
PNG
(CHEMBL2087448)
Show SMILES Brc1ccc(cc1)-c1cc(NC(=O)CCCCN2CCCCC2)[nH]n1
Show InChI InChI=1S/C19H25BrN4O/c20-16-9-7-15(8-10-16)17-14-18(23-22-17)21-19(25)6-2-5-13-24-11-3-1-4-12-24/h7-10,14H,1-6,11-13H2,(H2,21,22,23,25)
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Siena Biotech SpA

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT3A receptor expressed in HEK293 cells assessed as inhibition of m-chlorophenylbiguanide-induced calcium influx measur...


J Med Chem 55: 4806-23 (2012)


Article DOI: 10.1021/jm300247y
BindingDB Entry DOI: 10.7270/Q2VM4DJ7
More data for this
Ligand-Target Pair