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3 similar compounds to monomer 50429454

Wt: 604.5
BDBM50429451
Wt: 510.4
BDBM50429452
Wt: 482.4
BDBM50429458
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50429451,50429452,50429458   
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))
BDBM50429451
PNG
(CHEMBL2332366)
Show SMILES OC[C@]1(O)C[C@@H](OC(=O)c2ccc(O)cc2)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
Show InChI InChI=1S/C29H32O14/c30-13-29(38)11-19(41-26(37)15-3-7-17(32)8-4-15)18-9-10-39-27(21(18)29)43-28-24(35)23(34)22(33)20(42-28)12-40-25(36)14-1-5-16(31)6-2-14/h1-10,18-24,27-28,30-35,38H,11-13H2/t18-,19+,20+,21+,22+,23-,24+,27-,28-,29+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 139n/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance


J Med Chem 56: 1583-95 (2013)


Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50429458
PNG
(CHEMBL2332354 | Catalposide)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccc(O)cc4)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 12n/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance


J Med Chem 56: 1583-95 (2013)


Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50429452
PNG
(CHEMBL2332361)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@@H](C[C@@](O)(CO)[C@@H]23)OC(=O)\C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C24H30O12/c25-10-16-19(29)20(30)21(31)23(35-16)36-22-18-14(7-8-33-22)15(9-24(18,32)11-26)34-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,14-16,18-23,25-27,29-32H,9-11H2/b6-3-/t14-,15+,16+,18+,19+,20-,21+,22-,23-,24+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 73n/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance


J Med Chem 56: 1583-95 (2013)


Article DOI: 10.1021/jm301398y
BindingDB Entry DOI: 10.7270/Q2K938W3
More data for this
Ligand-Target Pair