BDBM11823 Azepane Derivative 4::N-((3R,4R)-4-{[4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoyl]amino}azepan-3-yl)isonicotinamide dihydrochloride::N-[(3R,4R)-4-({4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)carbonyl]benzene}amido)azepan-3-yl]pyridine-4-carboxamide dihydrochloride
SMILES: COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F
InChI Key: InChIKey=KGSQEYHTCBVKAX-WOJBJXKFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human)) | BDBM11823 (Azepane Derivative 4 | N-((3R,4R)-4-{[4-(2-fluoro-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4 | 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 | |||||||||||||
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human)) | BDBM11823 (Azepane Derivative 4 | N-((3R,4R)-4-{[4-(2-fluoro-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
wuhan Institute of Technology Curated by ChEMBL | Assay Description Inhibition of PKBalpha (unknown origin) expressed in Sf9 insect cells using Biotin-SGRARTSSFAEPG as substrate after 30 mins by ELISA | Eur J Med Chem 162: 465-494 (2019) Article DOI: 10.1016/j.ejmech.2018.11.031 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM11823 (Azepane Derivative 4 | N-((3R,4R)-4-{[4-(2-fluoro-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 2 | 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) |