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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 = 'BDBM50213879'   
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))		BDBM50213879
PNG
(CHEMBL298354)
Show SMILES O=c1c(NCCC#N)c(NC\C=C/COc2csc(CN3CCCCC3)c2)c1=O
Show InChI InChI=1S/C21H26N4O3S/c22-7-6-9-24-19-18(20(26)21(19)27)23-8-2-5-12-28-16-13-17(29-15-16)14-25-10-3-1-4-11-25/h2,5,13,15,23-24H,1,3-4,6,8-12,14H2/b5-2-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 747n/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