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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 = 'BDBM50476249'   
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))		BDBM50476249
PNG
(CHEMBL436804)
Show SMILES OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CN[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/C45H58N6O14/c52-22-34(55)41(65-45-40(60)39(59)38(58)35(23-53)64-45)37(57)33(54)21-47-30-18-36(56)50-32(17-26-19-46-29-14-8-7-13-28(26)29)44(63)51-31(16-25-11-5-2-6-12-25)43(62)49-27(20-48-42(30)61)15-24-9-3-1-4-10-24/h1-14,19,27,30-35,37-41,45-47,52-55,57-60H,15-18,20-23H2,(H,48,61)(H,49,62)(H,50,56)(H,51,63)/t27-,30-,31+,32+,33+,34-,35-,37-,38+,39+,40-,41-,45+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
 1.30n/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