BDBM11822 (3R,4R)-3-(isonicotinoylamino)azepan-4-yl 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoate dihydrochloride::(3R,4R)-3-(pyridine-4-amido)azepan-4-yl 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]benzoate dihydrochloride::Azepane Derivative 1
SMILES: COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F
InChI Key: InChIKey=VYPRIFLEMOQRJK-TZIWHRDSSA-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 |
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cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM11822 ((3R,4R)-3-(isonicotinoylamino)azepan-4-yl 4-(2-flu...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Roche Diagnostics GmbH | Assay Description In this assay, a fluorescent phosphopeptide tracer and the nonfluorescent phosphopeptides generated during a PKA reaction compete for binding to an a... | J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human)) | BDBM11822 ((3R,4R)-3-(isonicotinoylamino)azepan-4-yl 4-(2-flu...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Roche Diagnostics GmbH | Assay Description An ELISA-based assay has been developed for the serine/threonine kinase, PKB-alpha. The assay utilizes an N-terminally biotinylated substrate peptide... | J Med Chem 47: 1375-90 (2004) Article DOI: 10.1021/jm0310479 BindingDB Entry DOI: 10.7270/Q2WM1BNX | |||||||||||
More data for this Ligand-Target Pair |