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SMILES: COC(=O)Cn1c(=O)c2C(=O)C(Nc2n(Cc2ccccc2)c1=O)=Cc1ccc(OC)cc1

InChI Key: InChIKey=CBWYXPHIRXGCOM-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 = 96462   
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
Huntingtin


(Homo sapiens (Human))		BDBM96462
PNG
(2-[(6E)-1-benzyl-2,4,5-triketo-6-p-anisylidene-7H-...)
Show SMILES COC(=O)Cn1c(=O)c2C(=O)C(Nc2n(Cc2ccccc2)c1=O)=Cc1ccc(OC)cc1 |w:24.27|
Show InChI InChI=1S/C24H21N3O6/c1-32-17-10-8-15(9-11-17)12-18-21(29)20-22(25-18)26(13-16-6-4-3-5-7-16)24(31)27(23(20)30)14-19(28)33-2/h3-12,25H,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 1.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair