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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50405172'   
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 H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50405172
PNG
(CHEMBL543520)
Show SMILES Cc1nc[nH]c1CSCCNC(=N)SCCCc1cnc[nH]1
Show InChI InChI=1S/C14H22N6S2/c1-11-13(20-10-18-11)8-21-6-4-17-14(15)22-5-2-3-12-7-16-9-19-12/h7,9-10H,2-6,8H2,1H3,(H2,15,17)(H,16,19)(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 3.31E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against H2 receptor in guinea pig.


J Med Chem 28: 1414-22 (1985)


BindingDB Entry DOI: 10.7270/Q2P27096
More data for this
Ligand-Target Pair