BDBM11827 Azepane Derivative 8::N-((3S,4S)-4-{(E)-2-[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)phenyl]vinyl}azepan-3-yl)isonicotinamide dihydrochloride::N-[(3S,4S)-4-[(E)-2-{4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]phenyl}ethenyl]azepan-3-yl]pyridine-4-carboxamide dihydrochloride
SMILES: COc1ccc(O)c(C(=O)c2ccc(\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F
InChI Key: InChIKey=QXALMENQPNPILV-ANFMQWFKSA-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) (Bos taurus (bovine)) | BDBM11827 (Azepane Derivative 8 | N-((3S,4S)-4-{(E)-2-[4-(2-f...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 360 | 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)) | BDBM11827 (Azepane Derivative 8 | N-((3S,4S)-4-{(E)-2-[4-(2-f...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 160 | 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 |