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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 = 'BDBM50213880'   
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))		BDBM50213880
PNG
(CHEMBL50503)
Show SMILES COCC\N=c1/c(O)c(O)c1=NC\C=C/COc1csc(CN2CCCCC2)c1
Show InChI InChI=1S/C21H29N3O4S/c1-27-12-8-23-19-18(20(25)21(19)26)22-7-3-6-11-28-16-13-17(29-15-16)14-24-9-4-2-5-10-24/h3,6,13,15,25-26H,2,4-5,7-12,14H2,1H3/b6-3-,22-18-,23-19-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 1.14E+3n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonistic activity

Citation and Details

BindingDB Entry DOI: 10.7270/Q2XP773S
More data for this
Ligand-Target Pair