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4 similar compounds to monomer 50362231

Wt: 436.5
BDBM50362227
Wt: 422.5
BDBM50362228
Wt: 434.5
BDBM50362229
Wt: 420.5
BDBM50362230

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50362227,50362228,50362229,50362230   
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))
BDBM50362227
PNG
(CHEMBL1939378)
Show SMILES CCOc1cc(C)c-2cc1C(=O)NCCCOc1cccc(Sc3cc-2nc(N)n3)c1
Show InChI InChI=1S/C23H24N4O3S/c1-3-29-20-10-14(2)17-12-18(20)22(28)25-8-5-9-30-15-6-4-7-16(11-15)31-21-13-19(17)26-23(24)27-21/h4,6-7,10-13H,3,5,8-9H2,1-2H3,(H,25,28)(H2,24,26,27)
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Article
PubMed
n/an/an/a 10n/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
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50362230
PNG
(CHEMBL1939375)
Show SMILES Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCCNC2=O)c3)nc(N)n1
Show InChI InChI=1S/C23H24N4O2S/c1-14-10-15(2)19-12-18(14)20-13-21(27-23(24)26-20)30-17-7-5-6-16(11-17)29-9-4-3-8-25-22(19)28/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,25,28)(H2,24,26,27)
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Article
PubMed
n/an/an/a 7.40n/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
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50362229
PNG
(CHEMBL1939376)
Show SMILES Cc1cc(C)c2cc1-c1cc(Sc3cccc(OCCCCCNC2=O)c3)nc(N)n1
Show InChI InChI=1S/C24H26N4O2S/c1-15-11-16(2)20-13-19(15)21-14-22(28-24(25)27-21)31-18-8-6-7-17(12-18)30-10-5-3-4-9-26-23(20)29/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,26,29)(H2,25,27,28)
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Article
PubMed
n/an/an/a 6.20n/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
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)
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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