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BDBM50361022 CHEMBL1935558

SMILES: CN1CCN(CC1)c1nc(N)nc2c(cccc12)-c1c(C)cccc1C

InChI Key: InChIKey=XFTTTWALLGOVFT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50361022   
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))		BDBM50361022
PNG
(CHEMBL1935558)
Show SMILES CN1CCN(CC1)c1nc(N)nc2c(cccc12)-c1c(C)cccc1C |(-3.46,5.07,;-3.46,3.53,;-2.13,2.76,;-2.13,1.23,;-3.46,.46,;-4.8,1.22,;-4.8,2.76,;-3.46,-1.07,;-2.12,-1.84,;-2.12,-3.39,;-.78,-4.15,;-3.45,-4.16,;-4.79,-3.39,;-6.11,-4.15,;-7.45,-3.39,;-7.45,-1.84,;-6.11,-1.08,;-4.78,-1.85,;-6.11,-5.69,;-4.78,-6.45,;-3.45,-5.68,;-4.77,-7.99,;-6.11,-8.77,;-7.45,-8,;-7.45,-6.46,;-8.78,-5.69,)|
Show InChI InChI=1S/C21H25N5/c1-14-6-4-7-15(2)18(14)16-8-5-9-17-19(16)23-21(22)24-20(17)26-12-10-25(3)11-13-26/h4-9H,10-13H2,1-3H3,(H2,22,23,24)
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PubMed
 221n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes

Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair