BindingDB PrimarySearch

BDBM27225 (2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]formamido}hexanamido)-N-(5-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]carbamoyl}pentyl)hexanamide::ARC-1012, 15

SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#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](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O

InChI Key: InChIKey=LIYNJKNSBUCWCZ-SAPGASOESA-N

Data: 6 IC50 4 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 27225
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
cAMP-Dependent Protein Kinase (PKA) (Mus musculus (mouse))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	7.60	n/a	n/a	n/a	7.5	30
Institute of Chemistry in Estonia					Assay Description The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...				J Med Chem 52: 308-21 (2009) Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ
Institute of Chemistry in Estonia					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry in Estonia					Assay Description The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o...				J Med Chem 52: 308-21 (2009) Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ
Institute of Chemistry in Estonia					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Mus musculus (mouse))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry in Estonia					Assay Description The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...				J Med Chem 52: 308-21 (2009) Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ
Institute of Chemistry in Estonia					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	774	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemistry in Estonia					Assay Description The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc...				J Med Chem 52: 308-21 (2009) Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ
Institute of Chemistry in Estonia					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1042 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay				Bioorg Med Chem Lett 22: 3425-30 (2012) Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay				Bioorg Med Chem Lett 22: 3425-30 (2012) Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of ARC583 from ROCK2				Bioorg Med Chem Lett 19: 6098-101 (2009) Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Inhibition of PKACalpha in presense of 100 uM ATP				Bioorg Med Chem Lett 19: 6098-101 (2009) Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	774	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Inhibition of PKBgamma in presence of 100 uM ATP				Bioorg Med Chem Lett 19: 6098-101 (2009) Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM27225 ((2R)-6-amino-2-(6-{[(2S,3S,4R,5R)-5-(6-amino-9H-pu...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1042 from His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay				Bioorg Med Chem Lett 22: 3425-30 (2012) Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair