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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 = 'BDBM50476258'   
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))		BDBM50476258
PNG
(CHEMBL387542)
Show SMILES OC[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[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/C51H68N6O19/c58-22-35(62)45(75-51-44(69)42(67)46(37(24-60)74-51)76-50-43(68)41(66)40(65)36(23-59)73-50)39(64)34(61)21-53-31-18-38(63)56-33(17-27-19-52-30-14-8-7-13-29(27)30)49(72)57-32(16-26-11-5-2-6-12-26)48(71)55-28(20-54-47(31)70)15-25-9-3-1-4-10-25/h1-14,19,28,31-37,39-46,50-53,58-62,64-69H,15-18,20-24H2,(H,54,70)(H,55,71)(H,56,63)(H,57,72)/t28-,31-,32+,33+,34+,35-,36+,37-,39+,40+,41-,42-,43+,44-,45+,46-,50+,51-/m1/s1
PDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
 0.501n/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