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BDBM50008261 CHEMBL3234772

SMILES: CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=AIMKFQOZDDCIAX-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008261   
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-alpha


(Homo sapiens (Human))
BDBM50008261
PNG
(CHEMBL3234772)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H33N5O3/c1-6-26-25(33)23-24(18-11-9-17(10-12-18)15-29(7-2)8-3)30(28-27-23)20-13-19(16(4)5)21(31)14-22(20)32/h9-14,16,31-32H,6-8,15H2,1-5H3,(H,26,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair