BindingDB logo
myBDB logout

2 similar compounds to monomer 50314591

Compile data set for download or QSAR
Wt: 373.8
BDBM50314595
Purchase
Wt: 429.9
BDBM50414447

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50314595,50414447   
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
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50414447
PNG
(CHEMBL560117)
Show SMILES COc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)C(C)(C)C)cc1Cl
Show InChI InChI=1S/C23H28ClN3O3/c1-23(2,3)22(29)25-16-9-10-19(18(24)15-16)26-11-13-27(14-12-26)21(28)17-7-5-6-8-20(17)30-4/h5-10,15H,11-14H2,1-4H3,(H,25,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human neuropeptide Y2 receptor in KAN-TS cells by [35]GTPgammaS assay


Bioorg Med Chem Lett 19: 4022-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.035
BindingDB Entry DOI: 10.7270/Q2B27VBW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50314595
PNG
(CHEMBL1090095 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-3-23-10-12-24(13-11-23)19-9-6-16(14-18(19)21)22-20(25)15-4-7-17(26-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M5 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization


Bioorg Med Chem Lett 20: 2174-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.041
BindingDB Entry DOI: 10.7270/Q2D50N38
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50314595
PNG
(CHEMBL1090095 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-3-23-10-12-24(13-11-23)19-9-6-16(14-18(19)21)22-20(25)15-4-7-17(26-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization


Bioorg Med Chem Lett 20: 2174-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.041
BindingDB Entry DOI: 10.7270/Q2D50N38
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50314595
PNG
(CHEMBL1090095 | N-(3-chloro-4-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl
Show InChI InChI=1S/C20H24ClN3O2/c1-3-23-10-12-24(13-11-23)19-9-6-16(14-18(19)21)22-20(25)15-4-7-17(26-2)8-5-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine-induced calcium mobilization


Bioorg Med Chem Lett 20: 2174-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.041
BindingDB Entry DOI: 10.7270/Q2D50N38
More data for this
Ligand-Target Pair