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BDBM50352082 CHEMBL1824251

SMILES: CN([C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=VTVIRCKBHVYEBQ-ALOJWSFFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50352082   
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))		BDBM50352082
PNG
(CHEMBL1824251)
Show SMILES CN([C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1)S(=O)(=O)c1ccccc1 |r,wU:2.1,wD:5.8,(34.78,-44.7,;34,-46.03,;32.46,-46.02,;31.67,-47.34,;30.14,-47.33,;29.38,-45.99,;30.15,-44.66,;31.7,-44.68,;27.84,-45.98,;27.06,-47.3,;25.52,-47.3,;24.76,-45.96,;23.22,-45.95,;22.45,-47.29,;20.91,-47.28,;20.14,-45.95,;18.6,-45.95,;17.83,-47.27,;16.29,-47.27,;15.52,-45.95,;16.29,-44.61,;17.83,-44.61,;25.53,-44.63,;27.07,-44.64,;34.76,-47.37,;33.26,-47.76,;34.35,-48.85,;36.3,-47.38,;37.07,-46.06,;38.61,-46.08,;39.37,-47.42,;38.58,-48.75,;37.05,-48.73,)|
Show InChI InChI=1S/C27H38N2O3S/c1-28(33(30,31)27-9-4-2-5-10-27)25-15-11-23(12-16-25)24-13-17-26(18-14-24)32-22-8-21-29-19-6-3-7-20-29/h2,4-5,9-10,13-14,17-18,23,25H,3,6-8,11-12,15-16,19-22H2,1H3/t23-,25-
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 5.5n/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