BDBM51675 4-(3-Cyano-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester::4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]-3-keto-butyric acid isopropyl ester::4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]-3-oxobutanoic acid propan-2-yl ester::MLS000556592::SMR000147909::cid_1774193::propan-2-yl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate::propan-2-yl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate

SMILES CC(C)OC(=O)CC(=O)CSc1nc2CCCCCCc2cc1C#N

InChI Key InChIKey=GHGHIKGBNIZCFJ-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 51675   

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

Curated by PubChem BioAssay
LigandPNGBDBM51675(4-(3-Cyano-5,6,7,8,9,10-hexahydro-cycloocta[b]pyri...)
Affinity DataIC50:  639nMAssay 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