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BDBM50078995 1-(1,3-Dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-{1-[3-(3-isopropyl-ureido)-benzyl]-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-urea::CHEMBL86952

SMILES: CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4C(=O)NC(=O)c4c3)C2=O)c1

InChI Key: InChIKey=QENGHMDIQHSGLU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50078995   
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))		BDBM50078995
PNG
(1-(1,3-Dioxo-2,3-dihydro-1H-isoindol-5-yl)-3-{1-[3...)
Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4C(=O)NC(=O)c4c3)C2=O)c1
Show InChI InChI=1S/C30H30N6O5/c1-17(2)31-29(40)32-20-8-5-6-18(14-20)16-36-25-9-4-3-7-19(25)10-13-24(28(36)39)34-30(41)33-21-11-12-22-23(15-21)27(38)35-26(22)37/h3-9,11-12,14-15,17,24H,10,13,16H2,1-2H3,(H2,31,32,40)(H2,33,34,41)(H,35,37,38)
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Article
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 25n/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