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SMILES: N#C\N=C(\NCCSc1ccccc1)N[C@H]1CC[C@H](CC1)c1c[nH]cn1

InChI Key: InChIKey=XLVBAKLSUGNRNY-IYBDPMFKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170161   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50170161
PNG
(CHEMBL3805392)
Show SMILES N#C\N=C(\NCCSc1ccccc1)N[C@H]1CC[C@H](CC1)c1c[nH]cn1 |r,wD:15.15,18.22,(-1.6,2.16,;-2.67,1.55,;-4,.78,;-4,-.77,;-5.34,-1.53,;-6.67,-.76,;-8.01,-1.53,;-9.34,-.76,;-10.68,-1.52,;-12.01,-.75,;-13.35,-1.52,;-13.35,-3.06,;-12.01,-3.83,;-10.68,-3.06,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;2.67,1.54,;4.05,.9,;5.09,2.04,;4.32,3.38,;2.81,3.06,)|
Show InChI InChI=1S/C19H24N6S/c20-13-23-19(22-10-11-26-17-4-2-1-3-5-17)25-16-8-6-15(7-9-16)18-12-21-14-24-18/h1-5,12,14-16H,6-11H2,(H,21,24)(H2,22,23,25)/t15-,16+
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PC cid
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n/an/an/an/a 110n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...

J Med Chem 59: 3452-70 (2016)


BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair