BDBM51612 4-(3-Cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester::4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-3-keto-butyric acid isopropyl ester::4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio]-3-oxobutanoic acid propan-2-yl ester::MLS000122484::SMR000119852::cid_1951859::propan-2-yl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxidanylidene-butanoate::propan-2-yl 4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate

SMILES CC(C)OC(=O)CC(=O)CSc1nc2CCCCCc2cc1C#N

InChI Key InChIKey=KCAHKDBPSZBWQD-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 51612   

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

Curated by PubChem BioAssay
LigandPNGBDBM51612(4-(3-Cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyri...)
Affinity DataIC50:  611nMAssay 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