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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 = 'BDBM50002456'   
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))		BDBM50002456
PNG
(1,3-Diethyl-2-[3-(3-ethyl-3H-benzothiazol-2-yliden...)
Show SMILES CCN1\C(Sc2ccccc12)=C/C=C/c1n(CC)c2cc3ccccc3cc2[n+]1CC
Show InChI InChI=1S/C27H28N3S/c1-4-28-23-18-20-12-7-8-13-21(20)19-24(23)29(5-2)26(28)16-11-17-27-30(6-3)22-14-9-10-15-25(22)31-27/h7-19H,4-6H2,1-3H3/q+1
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MMDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 320n/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