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SMILES CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnsc3)c12

InChI Key

  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 3 hits for monomerid = 572272   

TargetSerine/threonine-protein kinase MRCK beta(Homo sapiens (Human))TBA
LigandPNGBDBM572272((3S)-1-(3-isothiazol-4-yl- 1H-pyrrolo[2,3-b]pyridi...)copy SMILES
Affinity DataKi:  0.273nMAssay Description:MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VD72PZUS Patent
TargetRho-associated protein kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM572272((3S)-1-(3-isothiazol-4-yl- 1H-pyrrolo[2,3-b]pyridi...)copy SMILES
Affinity DataKi:  36.4nMAssay Description:MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VD72PZUS Patent
TargetRho-associated protein kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM572272((3S)-1-(3-isothiazol-4-yl- 1H-pyrrolo[2,3-b]pyridi...)copy SMILES
Affinity DataKi:  109nMAssay Description:MRCKα, MRCKβ, ROCK1 and ROCK2 assays were performed using an IMAP fluorescence polarization assay format (Molecular Devices Inc.). 8-12 nM ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VD72PZUS Patent