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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50415926   
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))		BDBM50415926
PNG
(CHEMBL1084158)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)N1CCOCC1)Cc1ccccc1 |r|
Show InChI InChI=1S/C36H47N5O4S/c1-27-11-12-29-26-32(46-31(29)24-27)33(42)38-36(13-5-6-14-36)34(43)37-30(25-28-8-3-2-4-9-28)10-7-15-39-16-18-40(19-17-39)35(44)41-20-22-45-23-21-41/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,37,43)(H,38,42)/t30-/m0/s1
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Similars
Article
PubMed
 0.398n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor

J Med Chem 53: 4148-65 (2010)


Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT
More data for this
Ligand-Target Pair