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3 similar compounds to monomer 50409989

Compile data set for download or QSAR
Wt: 330.7
BDBM15367
Wt: 346.7
BDBM50409990
Wt: 300.7
BDBM50409992

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 15367,50409990,50409992   
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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM15367
PNG
(3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10-3-5-11(23-2)6-4-10)17(20-19-9)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,1-2H3,(H,19,20)
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Article
PubMed
n/an/a 150n/an/an/an/a7.422



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...


J Med Chem 48: 4212-5 (2005)


Article DOI: 10.1021/jm050355z
BindingDB Entry DOI: 10.7270/Q2WQ0216
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409992
PNG
(CHEMBL364882)
Show SMILES Cc1[nH]nc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C16H13ClN2O2/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20/h2-8,20-21H,1H3,(H,18,19)
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PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409990
PNG
(CHEMBL190249)
Show SMILES COc1ccc(cc1OC)-c1c[nH]nc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H15ClN2O4/c1-23-15-4-3-9(5-16(15)24-2)11-8-19-20-17(11)10-6-12(18)14(22)7-13(10)21/h3-8,21-22H,1-2H3,(H,19,20)
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Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2
More data for this
Ligand-Target Pair