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BDBM50116642 (7,8-Bis-benzyloxy-6-benzyloxymethyl-3-phenyl-6,7,8,8a-tetrahydro-4aH-4,5-dioxa-1-thia-naphthalen-2-yl)-phenyl-methanone::CHEMBL308178

SMILES: O=C(C1=C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=QZFIJMNKESHDLO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50116642   
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
Neurokinin 2 receptor


(Homo sapiens (Human))		BDBM50116642
PNG
((7,8-Bis-benzyloxy-6-benzyloxymethyl-3-phenyl-6,7,...)
Show SMILES O=C(C1=C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2S1)c1ccccc1)c1ccccc1 |t:2|
Show InChI InChI=1S/C42H38O6S/c43-36(33-22-12-4-13-23-33)40-37(34-24-14-5-15-25-34)48-42-41(49-40)39(46-28-32-20-10-3-11-21-32)38(45-27-31-18-8-2-9-19-31)35(47-42)29-44-26-30-16-6-1-7-17-30/h1-25,35,38-39,41-42H,26-29H2
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]-NKA from human Tachykinin receptor 2 expressed in CHO cells

Bioorg Med Chem Lett 12: 2263-6 (2002)


BindingDB Entry DOI: 10.7270/Q20864NT
More data for this
Ligand-Target Pair