BDBM56661 1-[3-[(3-cyano-7,8-dimethyl-2-quinolinyl)amino]propyl]-3-(3-ethoxypropyl)thiourea::1-[3-[(3-cyano-7,8-dimethyl-2-quinolyl)amino]propyl]-3-(3-ethoxypropyl)thiourea::1-[3-[(3-cyano-7,8-dimethyl-quinolin-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea::1-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea::MLS000764956::SMR000286761::cid_3221598

SMILES CCOCCCNC(=S)NCCCNc1nc2c(C)c(C)ccc2cc1C#N

InChI Key InChIKey=HPOQKBPCTDMGNP-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 56661   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56661(MLS000764956 | cid_3221598 | 1-[3-[(3-cyano-7,8-di...)
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