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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50002452'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50002452
PNG
(3-Ethyl-1-(2-hydroxy-ethyl)-2-[3-(1,3,3-trimethyl-...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CCO)c2cc3ccccc3cc12
Show InChI InChI=1S/C29H32N3O/c1-5-31-25-19-21-11-6-7-12-22(21)20-26(25)32(17-18-33)28(31)16-10-15-27-29(2,3)23-13-8-9-14-24(23)30(27)4/h6-16,19-20,33H,5,17-18H2,1-4H3/q+1
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PubMed
n/an/a 450n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Inhibition of Tachykinin receptor 1 of rat forebrain tissue

J Med Chem 35: 1273-9 (1992)


BindingDB Entry DOI: 10.7270/Q2222SQM
More data for this
Ligand-Target Pair