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SMILES: CCOc1ccc(CCOc2c(Cl)cnn(-c3ccccc3)c2=O)cc1OCC

InChI Key: InChIKey=XNMBSLQWPAJXIX-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 75953   
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
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))		BDBM75953
PNG
(5-chloranyl-4-[2-(3,4-diethoxyphenyl)ethoxy]-2-phe...)
Show SMILES CCOc1ccc(CCOc2c(Cl)cnn(-c3ccccc3)c2=O)cc1OCC
Show InChI InChI=1S/C22H23ClN2O4/c1-3-27-19-11-10-16(14-20(19)28-4-2)12-13-29-21-18(23)15-24-25(22(21)26)17-8-6-5-7-9-17/h5-11,14-15H,3-4,12-13H2,1-2H3
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PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair