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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 = 'BDBM50476235'   
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))		BDBM50476235
PNG
(CHEMBL436981)
Show SMILES NS(=O)(=O)N1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r|
Show InChI InChI=1S/C38H46N8O6S/c39-53(51,52)46-17-15-28(16-18-46)42-34-22-35(47)44-33(21-27-23-40-31-14-8-7-13-30(27)31)38(50)45-32(20-26-11-5-2-6-12-26)37(49)43-29(24-41-36(34)48)19-25-9-3-1-4-10-25/h1-14,23,28-29,32-34,40,42H,15-22,24H2,(H,41,48)(H,43,49)(H,44,47)(H,45,50)(H2,39,51,52)/t29-,32+,33+,34-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
 0.0501n/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