| Reaction Details |
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 | Report a problem with these data |
| Target | Heat shock protein HSP 90-alpha |
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| Ligand | BDBM50165272 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_647264 (CHEMBL1217470) |
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| IC50 | 300±n/a nM |
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| Citation |  Sekiguchi, H; Muranaka, K; Osada, A; Ichikawa, S; Matsuda, A Efficient synthesis of Hsp90 inhibitor dimers as potential antitumor agents. Bioorg Med Chem18:5732-7 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Heat shock protein HSP 90-alpha |
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| Name: | Heat shock protein HSP 90-alpha |
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| Synonyms: | HS90A_HUMAN | HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2 |
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| Type: | Molecular Chaperone |
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| Mol. Mass.: | 84623.45 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07900 |
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| Residue: | 732 |
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| Sequence: | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKED
KEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRN
PDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNN
IKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKC
LELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDY
CTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKT
LVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIV
TSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVK
DLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLE
GDDDTSRMEEVD
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| BDBM50165272 |
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| n/a |
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| Name | BDBM50165272 |
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| Synonyms: | 8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine | 8-(6-bromobenzo[d][1,3]dioxol-5-ylthio)-9-(pent-4-ynyl)-9H-purin-6-amine | CHEMBL365159 | US10676476, Example 1 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H14BrN5O2S |
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| Mol. Mass. | 432.294 |
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| SMILES | Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12 |
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| Structure | 
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