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SMILES: CCOC(=O)C(=CC=C1Sc2cc(OCC)c(OCC)cc2N1CC)C(C)=O

InChI Key: InChIKey=HGCWNMWVPWSWCL-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79726   
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
Tropomyosin alpha-1 chain


(Sus scrofa)		BDBM79726
PNG
((E,4Z)-2-acetyl-4-(5,6-diethoxy-3-ethyl-1,3-benzot...)
Show SMILES CCOC(=O)C(=CC=C1Sc2cc(OCC)c(OCC)cc2N1CC)C(C)=O |w:7.6,5.26|
Show InChI InChI=1S/C21H27NO5S/c1-6-22-16-12-17(25-7-2)18(26-8-3)13-19(16)28-20(22)11-10-15(14(5)23)21(24)27-9-4/h10-13H,6-9H2,1-5H3
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MMDB

KEGG

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PC cid
PC sid
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n/an/an/an/a 165n/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 (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair