BDBM50296477 (3S,6S,9S,12S,15S)-3-amino-15-((2S,5S,8S,11S,14S,17S,18R)-17-((S)-2-((6S,9S,12S,15S,18S,21S,24S,27S)-1-amino-12-(3-amino-3-oxopropyl)-15-benzyl-6-carbamoyl-18,21,24-tris(carboxymethyl)-1-imino-9-isobutyl-8,11,14,17,20,23,26-heptaoxo-2,7,10,13,16,19,22,25-octaazaoctacosan-27-ylcarbamoyl)pyrrolidine-1-carbonyl)-11-(2-amino-2-oxoethyl)-14-(4-hydroxybenzyl)-5-isobutyl-8,18-dimethyl-3,6,9,12,15-pentaoxo-4,7,10,13,16-pentaazaicosan-2-ylcarbamoyl)-9-(carboxymethyl)-6,12-diisobutyl-4,7,10,13-tetraoxo-5,::CHEMBL563460
SMILES: [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O
InChI Key: InChIKey=RTIGUWYIOTWDFR-JVUIIJMSSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human)) | BDBM50296477 ((3S,6S,9S,12S,15S)-3-amino-15-((2S,5S,8S,11S,14S,1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science and Technology Curated by ChEMBL | Assay Description Inhibition of interaction between fluorescein-labeled proline hydroxylated human HIFalpha (556 to 575) and human VHL-human elongin B-human elongin C ... | Bioorg Med Chem Lett 19: 4403-5 (2009) Article DOI: 10.1016/j.bmcl.2009.05.083 BindingDB Entry DOI: 10.7270/Q2DJ5FP3 | |||||||||||
More data for this Ligand-Target Pair |