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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 = 'BDBM50049354'   
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


(Homo sapiens (Human))
BDBM50049354
PNG
(CHEMBL163310 | N-[1-{[Acetyl-(2-nitro-benzyl)-amin...)
Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C32H36N6O4/c1-24(39)37(21-25-9-5-8-14-31(25)38(41)42)22-27(19-26-20-33-30-13-7-6-12-29(26)30)34-32(40)23-35-15-17-36(18-16-35)28-10-3-2-4-11-28/h2-14,20,27,33H,15-19,21-23H2,1H3,(H,34,40)
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair