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BDBM50352094 CHEMBL1824237

SMILES: CC1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1

InChI Key: InChIKey=JWSVZHPKZOJECJ-GUOBSTCESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50352094   
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))		BDBM50352094
PNG
(CHEMBL1824237)
Show SMILES CC1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:10.14,7.7,(24.57,-13.55,;23.03,-13.53,;22.24,-14.85,;20.71,-14.83,;19.96,-13.49,;20.73,-12.16,;22.28,-12.18,;18.42,-13.48,;17.64,-14.8,;16.1,-14.79,;15.34,-13.45,;16.11,-12.12,;17.66,-12.14,;13.8,-13.44,;13.02,-14.76,;11.49,-14.76,;10.72,-13.42,;9.19,-13.41,;8.41,-14.75,;6.87,-14.74,;6.11,-13.41,;4.57,-13.41,;3.8,-14.73,;2.26,-14.73,;1.49,-13.41,;2.26,-12.07,;3.8,-12.07,;11.49,-12.09,;13.03,-12.1,)|
Show InChI InChI=1S/C26H42N2O/c1-22-14-19-28(20-15-22)25-10-6-23(7-11-25)24-8-12-26(13-9-24)29-21-5-18-27-16-3-2-4-17-27/h8-9,12-13,22-23,25H,2-7,10-11,14-21H2,1H3/t23-,25+
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Similars
Article
PubMed
 0.560n/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