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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 = 'BDBM50017268'   
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


(Homo sapiens (Human))
BDBM50017268
PNG
(CHEMBL3287723 | US10099993, Compound 96)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C25H32O7/c1-16-20(11-9-18(23(16)27)19(26)15-25(2,3)4)31-12-6-7-13-32-22-14-17(24(28)29)8-10-21(22)30-5/h8-11,14,27H,6-7,12-13,15H2,1-5H3,(H,28,29)
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor at 10 uM by radioligand displacement assay


J Med Chem 57: 4154-72 (2014)


Article DOI: 10.1021/jm5000563
BindingDB Entry DOI: 10.7270/Q2GH9KH9
More data for this
Ligand-Target Pair