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BDBM50156894 4-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid::CHEMBL222853

SMILES: CCOCCn1cc(C2CCN(CCOc3ccc(cc3)C(O)=O)CC2)c2ccccc12

InChI Key: InChIKey=ONLRIYBCDNTLSC-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50156894   
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


(Cavia porcellus (domestic guinea pig))
BDBM50156894
PNG
(4-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccc(cc3)C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O4/c1-2-31-17-16-28-19-24(23-5-3-4-6-25(23)28)20-11-13-27(14-12-20)15-18-32-22-9-7-21(8-10-22)26(29)30/h3-10,19-20H,2,11-18H2,1H3,(H,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50156894
PNG
(4-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccc(cc3)C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O4/c1-2-31-17-16-28-19-24(23-5-3-4-6-25(23)28)20-11-13-27(14-12-20)15-18-32-22-9-7-21(8-10-22)26(29)30/h3-10,19-20H,2,11-18H2,1H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 691n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserine from histamine H2 receptor in human cortex membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair