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BDBM34661 2-(1-Cyclopropanecarbonyl-2,2-dimethyl-3-thioxo-2,3-dihydro-1H-quinolin-4-ylidene)-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester::2-[1-(cyclopropanecarbonyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester::2-[1-[cyclopropyl(oxo)methyl]-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester::MLS000525785::SMR000116259::cid_3127088::dimethyl 2-(1-cyclopropylcarbonyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate::dimethyl 2-[1-(cyclopropanecarbonyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

SMILES: [#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#16]\[#6](-[#16]-1)=[#6]-1/[#6](=S)C([#6])([#6])[#7](-[#6](=O)-[#6]-2-[#6]-[#6]-2)-c2ccccc-12)-[#6](=O)-[#8]-[#6]

InChI Key: InChIKey=HMBWBWVQCQYRGF-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 34661   
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
MPI protein


(Homo sapiens (Human))		BDBM34661
PNG
(2-(1-Cyclopropanecarbonyl-2,2-dimethyl-3-thioxo-2,...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#16]\[#6](-[#16]-1)=[#6]-1/[#6](=S)C([#6])([#6])[#7](-[#6](=O)-[#6]-2-[#6]-[#6]-2)-c2ccccc-12)-[#6](=O)-[#8]-[#6] |t:4|
Show InChI InChI=1S/C22H21NO5S3/c1-22(2)17(29)14(21-30-15(19(25)27-3)16(31-21)20(26)28-4)12-7-5-6-8-13(12)23(22)18(24)11-9-10-11/h5-8,11H,9-10H2,1-4H3
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Similars
PCBioAssay
n/an/a 6.47E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...

PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair