BDBM50361645 CHEMBL1234429::US9873693, Compound 144
SMILES: Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F
InChI Key: InChIKey=GCWCGSPBENFEPE-VWLOTQADSA-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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3-phosphoinositide-dependent protein kinase 1 (PDK1) (Homo sapiens (Human)) | BDBM50361645 (CHEMBL1234429 | US9873693, Compound 144) | PDB GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University | Assay Description A PDK1 kinase assay was performed as follows. PDK1 (amino acids 51-360) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) ... | J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2H41TRT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human)) | BDBM50361645 (CHEMBL1234429 | US9873693, Compound 144) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA | J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |