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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50019596'   
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 H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50019596
PNG
(2-(4-Methyl-piperazin-1-yl)-1-(2-prop-2-ynyloxy-et...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2n1CCOCC#C
Show InChI InChI=1S/C17H22N4O/c1-3-13-22-14-12-21-16-7-5-4-6-15(16)18-17(21)20-10-8-19(2)9-11-20/h1,4-7H,8-14H2,2H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum

J Med Chem 29: 1178-83 (1987)


BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair