BDBM45395 (3-chloro-2-methylphenyl)[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]amine::2-(3-chloro-2-methyl-anilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone::2-(3-chloro-2-methylanilino)-1-(3,5-dimethyl-1-pyrazolyl)ethanone::2-(3-chloro-2-methylanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone::2-[(3-chloranyl-2-methyl-phenyl)amino]-1-(3,5-dimethylpyrazol-1-yl)ethanone::MLS000061976::SMR000070837::cid_703700

SMILES Cc1cc(C)n(n1)C(=O)CNc1cccc(Cl)c1C

InChI Key InChIKey=FHLNURIOAVMSFC-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 45395   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45395BDBM45395(MLS000061976 | 2-(3-chloro-2-methylanilino)-1-(3,5...)
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
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45395BDBM45395(MLS000061976 | 2-(3-chloro-2-methylanilino)-1-(3,5...)
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:
6/8/2011
Entry Details
PCBioAssay