BDBM100085 1-Cyclopropyl-6-fluoro-7-[4-(2-fluoro-phenylthiocarbamoyl)-3-methyl-piperazin-1-yl]-8-methoxy-4-oxo-1, 4-dihydro-quinoline-3-carboxylic acid::1-cyclopropyl-6-fluoranyl-7-[4-[(2-fluorophenyl)carbamothioyl]-3-methyl-piperazin-1-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid::1-cyclopropyl-6-fluoro-7-[4-[(2-fluoroanilino)-sulfanylidenemethyl]-3-methyl-1-piperazinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid::1-cyclopropyl-6-fluoro-7-[4-[(2-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid::1-cyclopropyl-6-fluoro-7-[4-[(2-fluorophenyl)thiocarbamoyl]-3-methyl-piperazino]-4-keto-8-methoxy-quinoline-3-carboxylic acid::MLS000778651::SMR000415445::cid_5091685

SMILES COc1c(N2CCN(C(C)C2)C(=S)Nc2ccccc2F)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1

InChI Key InChIKey=GLFHZDRJFZWIQP-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 100085   

TargetKallikrein-7(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM100085(1-cyclopropyl-6-fluoranyl-7-[4-[(2-fluorophenyl)ca...)
Affinity DataEC50: >6.95E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2013
Entry Details
PCBioAssay