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BDBM50325609 (R)-2-{4-[4-(Ammoniomethyl)-1H-1,2,3-triazol-1-yl]butanoyl}-1-[4-(2,2-diphenylacetamido)-5-(4-hydroxybenzylamino)-5-oxopentyl]guanidinium 2,2,2-trifluoroacetate::CHEMBL1223997

SMILES: NCc1cn(CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1

InChI Key: InChIKey=VATHOEWSWNWXKL-GDLZYMKVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50325609   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))		BDBM50325609
PNG
((R)-2-{4-[4-(Ammoniomethyl)-1H-1,2,3-triazol-1-yl]...)
Show SMILES NCc1cn(CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 |r,w:13.13|
Show InChI InChI=1S/C34H41N9O4/c35-21-27-23-43(42-41-27)20-8-14-30(45)40-34(36)37-19-7-13-29(32(46)38-22-24-15-17-28(44)18-16-24)39-33(47)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-12,15-18,23,29,31,44H,7-8,13-14,19-22,35H2,(H,38,46)(H,39,47)(H3,36,37,40,45)/t29-/m1/s1
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Similars
Article
PubMed
 6.70n/an/an/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells

Bioorg Med Chem 18: 6292-304 (2010)


Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87
More data for this
Ligand-Target Pair