BDBM33528 (3E)-3-(3-chloranyl-4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3E)-3-(3-chloro-4-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-4-(3,4-dimethoxyphenyl)-5-(3-pyridinylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3E)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3E)-3-(3-chloro-6-keto-4-methyl-cyclohexa-2,4-dien-1-ylidene)-4-(3,4-dimethoxyphenyl)-5-(3-pyridylmethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::MLS000083498::SMR000048028::cid_5390046

SMILES COc1ccc(cc1OC)C1N(Cc2cccnc2)C(=O)c2[nH]nc(c12)-c1cc(Cl)c(C)cc1O

InChI Key InChIKey=JIJMMVASESSFCN-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 33528   

TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33528(SMR000048028 | MLS000083498 | (3E)-3-(3-chloranyl-...)
Affinity DataIC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
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Date in BDB:
11/9/2009
Entry Details
PCBioAssay