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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurokinin 3 receptor' and Ligand = 'BDBM50002462'   
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
Neurokinin 3 receptor


(Rattus norvegicus)
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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PC sid
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Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Binding affinity of compound was evaluated towards tachykinin receptor 3 by using radioligand [1261]eledoisin in rat cortex


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair