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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50007831'   
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-K receptor


(Rattus norvegicus (Rat))		BDBM50007831
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C35H51N7O6S/c1-23(2)19-27(34(47)41-26(32(37)45)16-18-49-3)40-31(44)22-38-33(46)28(20-24-11-6-4-7-12-24)42-35(48)29(39-30(43)15-10-17-36)21-25-13-8-5-9-14-25/h4-9,11-14,23,26-29H,10,15-22,36H2,1-3H3,(H2,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H,42,48)/t26-,27-,28-,29-/m0/s1
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Similars
PubMed
n/an/an/an/a 7.10n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae

J Med Chem 33: 1848-51 (1990)


BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair