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BDBM50362228 CHEMBL1939377

SMILES: COc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1

InChI Key: InChIKey=ZEZZQOYWCJVUGQ-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362228   
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))
BDBM50362228
PNG
(CHEMBL1939377)
Show SMILES COc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1
Show InChI InChI=1S/C22H22N4O3S/c1-13-9-19(28-2)17-11-16(13)18-12-20(26-22(23)25-18)30-15-6-3-5-14(10-15)29-8-4-7-24-21(17)27/h3,5-6,9-12H,4,7-8H2,1-2H3,(H,24,27)(H2,23,25,26)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 5.80n/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay


Bioorg Med Chem Lett 22: 1136-41 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.100
BindingDB Entry DOI: 10.7270/Q2KH0NS7
More data for this
Ligand-Target Pair