BDBM572272 (3S)-1-(3-isothiazol-4-yl- 1H-pyrrolo[2,3-b]pyridin- 4-yl)-N-methyl-piperidin- 3-amine::US11447505, Example E67

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

InChI Key InChIKey=CKPNYQZEVSDPAZ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   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(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM572272((3S)-1-(3-isothiazol-4-yl- 1H-pyrrolo[2,3-b]pyridi...)
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
In Depth
Date in BDB:
11/20/2022
Entry Details
US Patent

TargetRho-associated protein kinase 2(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM572272((3S)-1-(3-isothiazol-4-yl- 1H-pyrrolo[2,3-b]pyridi...)
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
In Depth
Date in BDB:
11/20/2022
Entry Details
US Patent

TargetRho-associated protein kinase 1(Human)
Cancer Research Technology

US Patent
LigandPNGBDBM572272((3S)-1-(3-isothiazol-4-yl- 1H-pyrrolo[2,3-b]pyridi...)
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
In Depth
Date in BDB:
11/20/2022
Entry Details
US Patent