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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 = 'BDBM50476219'   
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


(Homo sapiens (Human))		BDBM50476219
PNG
(CHEMBL225297)
Show SMILES NS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 |r|
Show InChI InChI=1S/C39H47N9O7S/c40-56(54,55)48-17-15-47(16-18-48)25-36(50)45-34-22-35(49)44-33(21-28-23-41-31-14-8-7-13-30(28)31)39(53)46-32(20-27-11-5-2-6-12-27)38(52)43-29(24-42-37(34)51)19-26-9-3-1-4-10-26/h1-14,23,29,32-34,41H,15-22,24-25H2,(H,42,51)(H,43,52)(H,44,49)(H,45,50)(H,46,53)(H2,40,54,55)/t29-,32+,33+,34-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
 0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells

J Med Chem 47: 6935-47 (2004)


Article DOI: 10.1021/jm040832y
BindingDB Entry DOI: 10.7270/Q2T43WVJ
More data for this
Ligand-Target Pair