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BDBM50081928 CHEMBL136875::[5-((S)-1-tert-Butoxycarbonylamino-2-phenyl-ethyl)-4H-[1,2,4]triazol-3-yl]-acetic acid ethyl ester

SMILES: CCOC(=O)Cc1nnc([nH]1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key: InChIKey=CTTCSHXBGBJJNV-AWEZNQCLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081928   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))		BDBM50081928
PNG
(CHEMBL136875 | [5-((S)-1-tert-Butoxycarbonylamino-...)
Show SMILES CCOC(=O)Cc1nnc([nH]1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C19H26N4O4/c1-5-26-16(24)12-15-21-17(23-22-15)14(11-13-9-7-6-8-10-13)20-18(25)27-19(2,3)4/h6-10,14H,5,11-12H2,1-4H3,(H,20,25)(H,21,22,23)/t14-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.

J Med Chem 42: 4331-42 (1999)


BindingDB Entry DOI: 10.7270/Q2SJ1MBK
More data for this
Ligand-Target Pair