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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 = 'BDBM50007830'   
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))		BDBM50007830
PNG
(1-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propionyla...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(N)=O
Show InChI InChI=1S/C38H55N7O6S/c1-25(2)22-29(35(48)42-28(34(40)47)18-21-52-3)43-37(50)32-16-11-20-45(32)38(51)31(24-27-14-8-5-9-15-27)44-36(49)30(41-33(46)17-10-19-39)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-32H,10-11,16-24,39H2,1-3H3,(H2,40,47)(H,41,46)(H,42,48)(H,43,50)(H,44,49)/t28-,29-,30-,31-,32-/m0/s1
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PC sid
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Similars
PubMed
n/an/an/an/a 0.400n/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