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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'HSP90 and hnRNPA2/B1' and Ligand = 'BDBM50003872'   
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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50003872
PNG
(CHEMBL3235357)
Show SMILES CCCCc1cc(cc2CCNC(=O)c12)-n1cc(C)c2c1CC(C)(C)CC2=O
Show InChI InChI=1S/C24H30N2O2/c1-5-6-7-16-10-18(11-17-8-9-25-23(28)22(16)17)26-14-15(2)21-19(26)12-24(3,4)13-20(21)27/h10-11,14H,5-9,12-13H2,1-4H3,(H,25,28)
PDB
MMDB

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KEGG

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PC cid
PC sid
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Article
PubMed
56n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Displacement of FITC-geldanamycin from recombinant HSP90beta (unknown origin) after 2 hrs by fluorescence polarization assay


J Med Chem 57: 3382-400 (2014)


Article DOI: 10.1021/jm500042s
BindingDB Entry DOI: 10.7270/Q2057HGG
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50003872
PNG
(CHEMBL3235357)
Show SMILES CCCCc1cc(cc2CCNC(=O)c12)-n1cc(C)c2c1CC(C)(C)CC2=O
Show InChI InChI=1S/C24H30N2O2/c1-5-6-7-16-10-18(11-17-8-9-25-23(28)22(16)17)26-14-15(2)21-19(26)12-24(3,4)13-20(21)27/h10-11,14H,5-9,12-13H2,1-4H3,(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in HEK cells expressing full-length mHtt Q73 gene assessed as reduction of mHtt level after 24 hrs by Western blot analysis


J Med Chem 57: 3382-400 (2014)


Article DOI: 10.1021/jm500042s
BindingDB Entry DOI: 10.7270/Q2057HGG
More data for this
Ligand-Target Pair