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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 = 'BDBM50002463'   
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))		BDBM50002463
PNG
(1,3-Diethyl-2-[3-(1-methyl-1H-benzo[cd]indol-2-yli...)
Show SMILES CCn1c(\C=C\C=c2/n(C)c3cccc4cccc2c34)[n+](CC)c2cc3ccccc3cc12
Show InChI InChI=1S/C30H28N3/c1-4-32-27-19-22-11-6-7-12-23(22)20-28(27)33(5-2)29(32)18-10-16-25-24-15-8-13-21-14-9-17-26(30(21)24)31(25)3/h6-20H,4-5H2,1-3H3/q+1
PDB
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.00E+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