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BDBM50386044 CHEMBL2042761

SMILES: CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O

InChI Key: InChIKey=WXAGYZOBOISWRD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386044   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM50386044
PNG
(CHEMBL2042761)
Show SMILES CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
Show InChI InChI=1S/C24H22FN3O2/c1-15-5-3-6-16(9-15)11-21-19-12-20(23(29)13-22(19)27-26-21)24(30)28(2)14-17-7-4-8-18(25)10-17/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Merck Serono

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