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SMILES: CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(NCCO)Nc3ccc(O)cc3)C2=O)c1

InChI Key: InChIKey=KKLCIAAEXXUPDX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50078990   
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))		BDBM50078990
PNG
(1-(3-{3-[N'-(2-Hydroxy-ethyl)-N''-(4-hydroxy-pheny...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(NCCO)Nc3ccc(O)cc3)C2=O)c1 |w:23.23|
Show InChI InChI=1S/C30H36N6O4/c1-20(2)32-30(40)34-24-8-5-6-21(18-24)19-36-27-9-4-3-7-22(27)10-15-26(28(36)39)35-29(31-16-17-37)33-23-11-13-25(38)14-12-23/h3-9,11-14,18,20,26,37-38H,10,15-17,19H2,1-2H3,(H2,31,33,35)(H2,32,34,40)
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Article
PubMed
 65n/an/an/an/an/an/an/an/a



Shionogi & Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...

J Med Chem 42: 2621-32 (1999)


Article DOI: 10.1021/jm990044m
BindingDB Entry DOI: 10.7270/Q2XK8DRQ
More data for this
Ligand-Target Pair