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BDBM50008266 CHEMBL3234777

SMILES: CCNC(=O)c1nnn(c1-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=NCROGRSEZXPSAB-FQEVSTJZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50008266   
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))
BDBM50008266
PNG
(CHEMBL3234777)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H36N6O3/c1-6-28-27(36)25-26(33(30-29-25)22-13-21(17(2)3)23(34)14-24(22)35)19-9-7-18(8-10-19)15-32-12-11-20(16-32)31(4)5/h7-10,13-14,17,20,34-35H,6,11-12,15-16H2,1-5H3,(H,28,36)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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