BindingDB logo
myBDB logout

BDBM50404032 ROXATIDINE ACETATE

SMILES: CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1

InChI Key: InChIKey=SMTZFNFIKUPEJC-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 50404032   
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 H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404032
PNG
(ROXATIDINE ACETATE)
Show SMILES CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 38.9n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium


Bioorg Med Chem Lett 13: 1717-20 (2003)


Article DOI: 10.1016/s0960-894x(03)00235-x
BindingDB Entry DOI: 10.7270/Q2XW4M0X
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404032
PNG
(ROXATIDINE ACETATE)
Show SMILES CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem
n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
More data for this
Ligand-Target Pair