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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 = 'BDBM50002457'   
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))		BDBM50002457
PNG
(1-(2-Acetoxy-ethyl)-3-ethyl-2-[3-(1,3,3-trimethyl-...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CCOC(C)=O)c2cc3ccccc3cc12
Show InChI InChI=1S/C31H34N3O2/c1-6-33-27-20-23-12-7-8-13-24(23)21-28(27)34(18-19-36-22(2)35)30(33)17-11-16-29-31(3,4)25-14-9-10-15-26(25)32(29)5/h7-17,20-21H,6,18-19H2,1-5H3/q+1
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PC sid
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PubMed
n/an/a 410n/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