BDBM50385999 CHEMBL2042885
SMILES: Oc1ccc(cc1)-c1n[nH]c2cc(O)ccc12
InChI Key: InChIKey=MUAYFXCYAHFDBS-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heat shock protein HSP 90-beta (Homo sapiens (Human)) | BDBM50385999 (CHEMBL2042885) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Serono Research Curated by ChEMBL | Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting | Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human)) | BDBM50385999 (CHEMBL2042885) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA Curated by ChEMBL | Assay Description Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method | Bioorg Med Chem Lett 26: 3073-80 (2016) BindingDB Entry DOI: 10.7270/Q2M61N5R | |||||||||||
More data for this Ligand-Target Pair |