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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50479336'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50479336
PNG
(CHEMBL517509)
Show SMILES CN1CCN(CC(O)COc2ccc3oc(=O)cc(C)c3c2)CC1
Show InChI InChI=1S/C18H24N2O4/c1-13-9-18(22)24-17-4-3-15(10-16(13)17)23-12-14(21)11-20-7-5-19(2)6-8-20/h3-4,9-10,14,21H,5-8,11-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.43E+4n/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced contractions at 1.0 mg/ml


Bioorg Med Chem 16: 9009-17 (2008)


Article DOI: 10.1016/j.bmc.2008.08.039
BindingDB Entry DOI: 10.7270/Q2PR7ZSZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50479336
PNG
(CHEMBL517509)
Show SMILES CN1CCN(CC(O)COc2ccc3oc(=O)cc(C)c3c2)CC1
Show InChI InChI=1S/C18H24N2O4/c1-13-9-18(22)24-17-4-3-15(10-16(13)17)23-12-14(21)11-20-7-5-19(2)6-8-20/h3-4,9-10,14,21H,5-8,11-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80E+4n/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced contractions at 0.5 mg/ml


Bioorg Med Chem 16: 9009-17 (2008)


Article DOI: 10.1016/j.bmc.2008.08.039
BindingDB Entry DOI: 10.7270/Q2PR7ZSZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50479336
PNG
(CHEMBL517509)
Show SMILES CN1CCN(CC(O)COc2ccc3oc(=O)cc(C)c3c2)CC1
Show InChI InChI=1S/C18H24N2O4/c1-13-9-18(22)24-17-4-3-15(10-16(13)17)23-12-14(21)11-20-7-5-19(2)6-8-20/h3-4,9-10,14,21H,5-8,11-12H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.74E+4n/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced contractions at 0.1 mg/ml


Bioorg Med Chem 16: 9009-17 (2008)


Article DOI: 10.1016/j.bmc.2008.08.039
BindingDB Entry DOI: 10.7270/Q2PR7ZSZ
More data for this
Ligand-Target Pair