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BDBM50295718 6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione::CHEMBL560120

SMILES: Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O

InChI Key: InChIKey=MMXKXXGRZUAQGP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50295718   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295718
PNG
(6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propyl...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295718
PNG
(6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propyl...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair