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BDBM50040121 11-[2-(4-Phenyl-piperidin-1-yl)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid::CHEMBL134424

SMILES: OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCC(CC3)c3ccccc3)c2c1

InChI Key: InChIKey=RUJJCYQAYAXDRK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040121   
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 H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50040121
PNG
(11-[2-(4-Phenyl-piperidin-1-yl)-ethylsulfanyl]-6,1...)
Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCC(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C28H29NO3S/c30-28(31)22-10-11-26-25(18-22)27(24-9-5-4-8-23(24)19-32-26)33-17-16-29-14-12-21(13-15-29)20-6-2-1-3-7-20/h1-11,18,21,27H,12-17,19H2,(H,30,31)
UniProtKB/SwissProt

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PubMed
 20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL


Assay Description
Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor

J Med Chem 36: 417-20 (1993)


BindingDB Entry DOI: 10.7270/Q2Q23Z9K
More data for this
Ligand-Target Pair