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BDBM50415935 CHEMBL1083878

SMILES: CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1

InChI Key: InChIKey=MOPHVRWHWYOJKJ-HKBQPEDESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50415935   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neurokinin 2 receptor


(Homo sapiens (Human))		BDBM50415935
PNG
(CHEMBL1083878)
Show SMILES CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r|
Show InChI InChI=1S/C36H50N4O3S/c1-3-43-24-10-19-40-22-20-39(21-23-40)18-9-13-31(26-29-11-5-4-6-12-29)37-35(42)36(16-7-8-17-36)38-34(41)33-27-30-15-14-28(2)25-32(30)44-33/h4-6,11-12,14-15,25,27,31H,3,7-10,13,16-24,26H2,1-2H3,(H,37,42)(H,38,41)/t31-/m0/s1
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Similars
Article
PubMed
 0.316n/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