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BDBM50116641 7-Benzyloxy-8-hydroxy-6-hydroxymethyl-3-methyl-6,7,8,8a-tetrahydro-4aH-4,5-dioxa-1-thia-naphthalene-2-carboxylic acid ethyl ester::CHEMBL75454

SMILES: CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(O)C2S1

InChI Key: InChIKey=FTFQNIITYCJBDY-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50116641   
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))		BDBM50116641
PNG
(7-Benzyloxy-8-hydroxy-6-hydroxymethyl-3-methyl-6,7...)
Show SMILES CCOC(=O)C1=C(C)OC2OC(CO)C(OCc3ccccc3)C(O)C2S1 |c:5|
Show InChI InChI=1S/C19H24O7S/c1-3-23-18(22)16-11(2)25-19-17(27-16)14(21)15(13(9-20)26-19)24-10-12-7-5-4-6-8-12/h4-8,13-15,17,19-21H,3,9-10H2,1-2H3
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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