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SMILES: CC(C)(C(O)=O)c1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1

InChI Key: InChIKey=ZGJNVCCDNNFSRE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040110   
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))		BDBM50040110
PNG
(2-{11-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-...)
Show SMILES CC(C)(C(O)=O)c1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1
Show InChI InChI=1S/C32H37NO3S/c1-32(2,31(34)35)26-12-13-29-28(21-26)30(27-11-7-6-10-25(27)22-36-29)37-19-18-33-16-14-24(15-17-33)20-23-8-4-3-5-9-23/h3-13,21,24,30H,14-20,22H2,1-2H3,(H,34,35)
UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
 17n/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