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BDBM50165292 8-(2-Iodo-3,4,5-trimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine::CHEMBL193056

SMILES: COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(I)c(OC)c1OC

InChI Key: InChIKey=PPZANJSDICUEGU-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50165292   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM50165292
PNG
(8-(2-Iodo-3,4,5-trimethoxy-phenylsulfanyl)-9-pent-...)
Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(I)c(OC)c1OC
Show InChI InChI=1S/C19H20IN5O3S/c1-5-6-7-8-25-18-14(17(21)22-10-23-18)24-19(25)29-12-9-11(26-2)15(27-3)16(28-4)13(12)20/h1,9-10H,6-8H2,2-4H3,(H2,21,22,23)
PDB

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antibodypedia
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells


J Med Chem 48: 2892-905 (2005)


Article DOI: 10.1021/jm049012b
BindingDB Entry DOI: 10.7270/Q2N29WF6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165292
PNG
(8-(2-Iodo-3,4,5-trimethoxy-phenylsulfanyl)-9-pent-...)
Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(I)c(OC)c1OC
Show InChI InChI=1S/C19H20IN5O3S/c1-5-6-7-8-25-18-14(17(21)22-10-23-18)24-19(25)29-12-9-11(26-2)15(27-3)16(28-4)13(12)20/h1,9-10H,6-8H2,2-4H3,(H2,21,22,23)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


J Med Chem 48: 2892-905 (2005)


Article DOI: 10.1021/jm049012b
BindingDB Entry DOI: 10.7270/Q2N29WF6
More data for this
Ligand-Target Pair