BDBM50311410 CHEMBL1077376::N-((5S,8R,11R,14R,17R,20R,23R,33R)-1-amino-33-(4-aminobutyl)-5-carbamoyl-8,11,14,17,20,23-hexakis(3-guanidinopropyl)-7,10,13,16,19,22,25,32,35-nonaoxo-6,9,12,15,18,21,24,31,34-nonaazatetracontan-40-yl)-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](-[#7])=O
InChI Key: InChIKey=ZENNWRXLFOADLL-FKXYCMAXSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Serine/threonine-protein kinase AKT (Homo sapiens (Human)) | BDBM50311410 (CHEMBL1077376 | N-((5S,8R,11R,14R,17R,20R,23R,33R)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tartu Curated by ChEMBL | Assay Description Inhibition of PKBgamma in presence of 100 uM ATP | Bioorg Med Chem Lett 19: 6098-101 (2009) Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human)) | BDBM50311410 (CHEMBL1077376 | N-((5S,8R,11R,14R,17R,20R,23R,33R)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tartu Curated by ChEMBL | Assay Description Inhibition of PKACalpha in presence of 1000 uM ATP | Bioorg Med Chem Lett 19: 6098-101 (2009) Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4 | |||||||||||
More data for this Ligand-Target Pair |