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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 = 'BDBM50213959'   
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))
BDBM50213959
PNG
(CHEMBL50294)
Show SMILES CN(C)CC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
Show InChI InChI=1S/C22H32N4O3S/c1-25(2)12-9-24-20-19(21(27)22(20)28)23-8-4-7-13-29-17-14-18(30-16-17)15-26-10-5-3-6-11-26/h4,7,14,16,27-28H,3,5-6,8-13,15H2,1-2H3/b7-4-,23-19-,24-20-
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 0.350n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity


Citation and Details
More data for this
Ligand-Target Pair