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BDBM50361728 CHEMBL1941079

SMILES: CCNC(=O)c1noc(c1NC(=O)c1cc(CN2CCOCC2)on1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=BDBBWEVUODWYQD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50361728   
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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50361728
PNG
(CHEMBL1941079)
Show SMILES CCNC(=O)c1noc(c1NC(=O)c1cc(CN2CCOCC2)on1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C24H29N5O7/c1-4-25-24(33)21-20(22(36-28-21)16-10-15(13(2)3)18(30)11-19(16)31)26-23(32)17-9-14(35-27-17)12-29-5-7-34-8-6-29/h9-11,13,30-31H,4-8,12H2,1-3H3,(H,25,33)(H,26,32)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay


J Med Chem 54: 8592-604 (2011)


Article DOI: 10.1021/jm201155e
BindingDB Entry DOI: 10.7270/Q2QF8T9M
More data for this
Ligand-Target Pair