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BDBM50352098 CHEMBL1824232

SMILES: C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCC1)CN1CCCCC1

InChI Key: InChIKey=BUPDKQVYUKWVSM-GRGXKFILSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50352098   
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 H3 receptor


(Homo sapiens (Human))		BDBM50352098
PNG
(CHEMBL1824232)
Show SMILES C(COc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CCC1)CN1CCCCC1 |r,wU:9.9,12.16,(-5.54,-1.1,;-4,-1.1,;-3.23,.23,;-1.69,.23,;-.93,-1.11,;.61,-1.12,;1.38,.21,;.62,1.55,;-.93,1.56,;2.93,.19,;3.69,-1.15,;5.22,-1.16,;6.01,.17,;5.25,1.51,;3.7,1.52,;7.55,.15,;8.62,-.94,;9.72,.13,;8.64,1.23,;-6.31,.24,;-7.85,.24,;-8.62,-1.09,;-10.16,-1.09,;-10.93,.24,;-10.16,1.57,;-8.62,1.57,)|
Show InChI InChI=1S/C23H36N2O/c1-2-14-24(15-3-1)16-5-19-26-23-12-8-21(9-13-23)20-6-10-22(11-7-20)25-17-4-18-25/h8-9,12-13,20,22H,1-7,10-11,14-19H2/t20-,22+
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Similars
Article
PubMed
 0.340n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair