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SMILES: CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(C)c12

InChI Key: InChIKey=WIQGPOWORKUTND-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50156888   
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))
BDBM50156888
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-7-methyl-1H-indol-3-yl)...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(C)c12
Show InChI InChI=1S/C27H34N2O4/c1-3-32-17-16-29-19-24(22-9-6-7-20(2)26(22)29)21-11-13-28(14-12-21)15-18-33-25-10-5-4-8-23(25)27(30)31/h4-10,19,21H,3,11-18H2,1-2H3,(H,30,31)
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PC sid
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Article
PubMed
n/an/a 500n/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))
BDBM50156888
PNG
(2-(2-(4-(1-(2-ethoxyethyl)-7-methyl-1H-indol-3-yl)...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2cccc(C)c12
Show InChI InChI=1S/C27H34N2O4/c1-3-32-17-16-29-19-24(22-9-6-7-20(2)26(22)29)21-11-13-28(14-12-21)15-18-33-25-10-5-4-8-23(25)27(30)31/h4-10,19,21H,3,11-18H2,1-2H3,(H,30,31)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.10E+3n/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