BDBM45379 1-(4-chlorophenyl)-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one::1-(4-chlorophenyl)-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one::1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one::1-(4-chlorophenyl)-6-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one::MLS000091835::SMR000016338::cid_2153037

SMILES O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1)N1CCCc2ccccc21

InChI Key InChIKey=SMRHLNJJUWZCFN-UHFFFAOYSA-N

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 45379   

TargetPhospholipase A2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45379BDBM45379(SMR000016338 | cid_2153037 | 1-(4-chlorophenyl)-6-...)
Affinity DataIC50: 7.73E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/5/2012
Entry Details
PCBioAssay
TargetCysteine protease ATG4B(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45379BDBM45379(SMR000016338 | cid_2153037 | 1-(4-chlorophenyl)-6-...)
Affinity DataIC50: 1.09E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45379BDBM45379(SMR000016338 | cid_2153037 | 1-(4-chlorophenyl)-6-...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay