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BDBM50479338 CHEMBL513910

SMILES: OC(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)CN1CCNCC1

InChI Key: InChIKey=DPPQNKKMNSPLRU-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50479338   
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))
BDBM50479338
PNG
(CHEMBL513910)
Show SMILES OC(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)CN1CCNCC1
Show InChI InChI=1S/C22H24N2O4/c25-17(14-24-10-8-23-9-11-24)15-27-18-6-7-19-20(16-4-2-1-3-5-16)13-22(26)28-21(19)12-18/h1-7,12-13,17,23,25H,8-11,14-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.65E+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))
BDBM50479338
PNG
(CHEMBL513910)
Show SMILES OC(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)CN1CCNCC1
Show InChI InChI=1S/C22H24N2O4/c25-17(14-24-10-8-23-9-11-24)15-27-18-6-7-19-20(16-4-2-1-3-5-16)13-22(26)28-21(19)12-18/h1-7,12-13,17,23,25H,8-11,14-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.26E+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))
BDBM50479338
PNG
(CHEMBL513910)
Show SMILES OC(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)CN1CCNCC1
Show InChI InChI=1S/C22H24N2O4/c25-17(14-24-10-8-23-9-11-24)15-27-18-6-7-19-20(16-4-2-1-3-5-16)13-22(26)28-21(19)12-18/h1-7,12-13,17,23,25H,8-11,14-15H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.52E+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