BDBM27248 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]formamido}-N-[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}butyl]hexanamide::ARC-902::CHEMBL279185

SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O

InChI Key InChIKey=JXPHKZGTRJJKLA-UHFFFAOYSA-N

Data  5 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 27248   

LigandPNGBDBM27248(CHEMBL279185 | 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pur...)
Affinity DataIC50: 8.30nMAssay Description:The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2009
Entry Details Article
PubMed
TargetRAC-gamma serine/threonine-protein kinase(Human)
University of Tartu

LigandPNGBDBM27248(CHEMBL279185 | 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pur...)
Affinity DataIC50: 36.9nMAssay Description:The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2009
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Institute of Organic and Bioorganic Chemistry

Curated by ChEMBL
LigandPNGBDBM27248(CHEMBL279185 | 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pur...)
Affinity DataIC50: 8.30nMAssay Description:Inhibitory potency towards human cAPK C alpha in the presence of 100 uM ATP and 30 uM TAMRA-kemptideMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
University of Tartu

Curated by ChEMBL
LigandPNGBDBM27248(CHEMBL279185 | 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pur...)
Affinity DataKd:  1.5nMAssay Description:Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Institute of Organic and Bioorganic Chemistry

Curated by ChEMBL
LigandPNGBDBM27248(CHEMBL279185 | 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pur...)
Affinity DataIC50: 8.30nMAssay Description:Inhibitory potency towards human cAPK C alpha in the presence of 100 uM ATP and 30 uM TAMRA-kemptideMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRho-associated protein kinase 2(Human)
University of Tartu

Curated by ChEMBL
LigandPNGBDBM27248(CHEMBL279185 | 6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pur...)
Affinity DataIC50: 251nMAssay Description:Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed