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SMILES: CCN1\C(Sc2ccccc12)=C/C=C1\CCC[n+]2c1n(CC)c1cc3ccccc3cc21

InChI Key: InChIKey=WFOSPLUTJBJUCL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002451   
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
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50002451
PNG
(5-Ethyl-4-[2-(3-ethyl-3H-benzothiazol-2-ylidene)-e...)
Show SMILES CCN1\C(Sc2ccccc12)=C/C=C1\CCC[n+]2c1n(CC)c1cc3ccccc3cc21
Show InChI InChI=1S/C28H28N3S/c1-3-29-23-13-7-8-14-26(23)32-27(29)16-15-20-12-9-17-31-25-19-22-11-6-5-10-21(22)18-24(25)30(4-2)28(20)31/h5-8,10-11,13-16,18-19H,3-4,9,12,17H2,1-2H3/q+1
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PC cid
PC sid
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Similars
PubMed
n/an/a 1.30E+3n/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