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PubMed code 27913182

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50206884
PNG
(CHEMBL3908971)
Show SMILES CCc1cc(C(=O)Cc2ccc(OC)cc2)c(O)cc1O
PDB
MMDB

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Article
PubMed
n/an/an/a 2.00E+4n/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled human HSP90alpha isoform 1 N-terminal ATP binding domain (9 to 236 residues) expressed in Escherichia coli BL21(DE3) ...


Bioorg Med Chem Lett 27: 277-281 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.059
BindingDB Entry DOI: 10.7270/Q2CR5WBR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50206881
PNG
(CHEMBL3959191)
Show SMILES CCCc1cc(C(=O)Cc2ccc3OCOc3c2)c(O)cc1O
PDB
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PubMed
n/an/an/a>5.00E+5n/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled human HSP90alpha isoform 1 N-terminal ATP binding domain (9 to 236 residues) expressed in Escherichia coli BL21(DE3) ...


Bioorg Med Chem Lett 27: 277-281 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.059
BindingDB Entry DOI: 10.7270/Q2CR5WBR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50206883
PNG
(CHEMBL3932805)
Show SMILES CCOC(=O)c1ccc(o1)-c1c(C)[nH]nc1-c1cc(CC)c(O)cc1O
PDB
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PubMed
n/an/an/a 3.00E+3n/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled human HSP90alpha isoform 1 N-terminal ATP binding domain (9 to 236 residues) expressed in Escherichia coli BL21(DE3) ...


Bioorg Med Chem Lett 27: 277-281 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.059
BindingDB Entry DOI: 10.7270/Q2CR5WBR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM39605
PNG
(5-[2-(2,4-dihydroxy-5-propyl-phenyl)-2-keto-ethyl]...)
Show SMILES CCCc1cc(C(=O)Cc2ccc(o2)C(=O)OCC)c(O)cc1O
Show InChI InChI=1S/C18H20O6/c1-3-5-11-8-13(16(21)10-14(11)19)15(20)9-12-6-7-17(24-12)18(22)23-4-2/h6-8,10,19,21H,3-5,9H2,1-2H3
PDB
MMDB

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PC cid
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UniChem
Article
PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled human HSP90alpha isoform 1 N-terminal ATP binding domain (9 to 236 residues) expressed in Escherichia coli BL21(DE3) ...


Bioorg Med Chem Lett 27: 277-281 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.059
BindingDB Entry DOI: 10.7270/Q2CR5WBR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50206882
PNG
(CHEMBL3936909)
Show SMILES Oc1ccc(C(=O)Cc2ccc3OCCCOc3c2)c(O)c1O
PDB
MMDB

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PubMed
n/an/an/a 3.70E+5n/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Binding affinity to 15N-labeled human HSP90alpha isoform 1 N-terminal ATP binding domain (9 to 236 residues) expressed in Escherichia coli BL21(DE3) ...


Bioorg Med Chem Lett 27: 277-281 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.059
BindingDB Entry DOI: 10.7270/Q2CR5WBR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%