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BDBM42540 1-(2-Dimethylamino-ethyl)-1-(6,8-dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-m-tolyl-thiourea::1-[2-(dimethylamino)ethyl]-1-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-3-(m-tolyl)thiourea::1-[2-(dimethylamino)ethyl]-1-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea::1-[2-(dimethylamino)ethyl]-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea::MLS000554607::SMR000170910::cid_1141823

SMILES: CN(C)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1

InChI Key: InChIKey=ZADSNUOSVPGFAH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42540   
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))		BDBM42540
PNG
(1-(2-Dimethylamino-ethyl)-1-(6,8-dimethyl-2-oxo-1,...)
Show SMILES CN(C)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1
Show InChI InChI=1S/C24H30N4OS/c1-16-7-6-8-21(13-16)25-24(30)28(10-9-27(4)5)15-20-14-19-12-17(2)11-18(3)22(19)26-23(20)29/h6-8,11-14H,9-10,15H2,1-5H3,(H,25,30)(H,26,29)
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PC cid
PC sid
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n/an/a 6.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2Q81BGP
More data for this
Ligand-Target Pair