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BDBM27229 6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxycyclopentyl]formamido}-N-[(1R)-1-[(5-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]carbamoyl}pentyl)carbamoyl]ethyl]hexanamide::ARC-1044, 26
SMILES: [#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-1)-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=IZLPTBRLODRSPG-BLQNYSDHSA-N
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| cAMP-Dependent Protein Kinase (PKA) (Mus musculus (mouse)) | BDBM27229 (6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.80 | 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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Serine/threonine-protein kinase AKT (Homo sapiens (Human)) | BDBM27229 (6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.04E+3 | 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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| cAMP-Dependent Protein Kinase (PKA) (Mus musculus (mouse)) | BDBM27229 (6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 21.1 | 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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM27229 (6-{[(1S,3R,4R)-3-(6-amino-9H-purin-9-yl)-4-hydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 187 | 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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
