BDBM51482 5-cyano-6-[[2-(ethoxycarbonylamino)-2-oxoethyl]thio]-2-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester::6-[[2-(carbethoxyamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid allyl ester::MLS000078487::SMR000036561::cid_660278::prop-2-enyl 5-cyano-6-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate::prop-2-enyl 5-cyano-6-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

SMILES CCOC(=O)NC(=O)CSC1=NC(C)=C(C(C1C#N)c1cccnc1)C(=O)OCC=C

InChI Key InChIKey=LOXOPNPMPYEXEY-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 51482   

TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis H37Rv)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM51482(5-cyano-6-[[2-(ethoxycarbonylamino)-2-oxoethyl]thi...)
Affinity DataIC50:  3.40E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKallikrein-7(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51482(5-cyano-6-[[2-(ethoxycarbonylamino)-2-oxoethyl]thi...)
Affinity DataEC50:  4.56E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetATP-dependent molecular chaperone HSP82(Candida albicans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM51482(5-cyano-6-[[2-(ethoxycarbonylamino)-2-oxoethyl]thi...)
Affinity DataEC50:  2.11E+4nMAssay Description:Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay