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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 = 'BDBM50049317'   
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))		BDBM50049317
PNG
(CHEMBL165949 | N-[1-{[Acetyl-(2-trifluoromethyl-be...)
Show SMILES CC(=O)N(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C33H36F3N5O2/c1-24(42)41(21-25-9-5-7-13-30(25)33(34,35)36)22-27(19-26-20-37-31-14-8-6-12-29(26)31)38-32(43)23-39-15-17-40(18-16-39)28-10-3-2-4-11-28/h2-14,20,27,37H,15-19,21-23H2,1H3,(H,38,43)
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n/an/a 3.20n/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