BDBM199303 US9221808, 1bh

SMILES COc1cccc(c1)[C@@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1

InChI Key InChIKey=PZUHTMLHMMXBQW-GFCCVEGCSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 199303   

TargetRho-associated protein kinase 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM199303(US9221808, 1bh)
Affinity DataIC50:  30nMAssay Description:Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetRho-associated protein kinase 1(Homo sapiens (Human))
H. Lee Moffitt Cancer Center and Research Institute

US Patent
LigandPNGBDBM199303(US9221808, 1bh)
Affinity DataIC50:  30nMAssay Description:Inhibition of N-terminal GST-tagged ROCK1 (1 to 535) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM199303(US9221808, 1bh)
Affinity DataIC50:  9nMAssay Description:Inhibition of N-terminal GST-tagged ROCK2 (1 to 552) (unknown origin) using KKRPQRRSNVF as substrate after 1 hr by Z-Lyte-based FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Moffitt Cancer Center

Curated by ChEMBL
LigandPNGBDBM199303(US9221808, 1bh)
Affinity DataIC50:  9nMAssay Description:Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent