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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50249928'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50249928
PNG
((8S,9S,12S,13R,14S,16R)-13-(2,2-difluoroethylamino...)
Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1NCC(F)F)cc(O)c2N=CCN(C)C
Show InChI InChI=1/C34H51F2N5O7/c1-19-14-23-30(38-12-13-41(5)6)25(42)17-24(31(23)43)40-33(44)20(2)10-9-11-26(46-7)32(48-34(37)45)22(4)16-21(3)29(27(15-19)47-8)39-18-28(35)36/h9-12,16-17,19,21,26-29,32,39,42-43H,13-15,18H2,1-8H3,(H2,37,45)(H,40,44)/b11-9-,20-10+,22-16+,38-12+/t19-,21+,26+,27+,29-,32+/s2
PDB
MMDB

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Similars

Article
PubMed
n/an/an/a 2.90E+3n/an/an/an/an/a



Kosan Biosciences Inc

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant HSP90


J Med Chem 52: 3265-73 (2009)


Article DOI: 10.1021/jm900098v
BindingDB Entry DOI: 10.7270/Q2V40W5R
More data for this
Ligand-Target Pair