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3 similar compounds to monomer 50013900

Compile data set for download or QSAR
Wt: 370.4
BDBM50013895
Wt: 427.4
BDBM50013903
Wt: 384.4
BDBM50013905

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50013895,50013903,50013905   
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))
BDBM50013895
PNG
(CHEMBL3260480)
Show SMILES Oc1cc(O)c(cc1C(=O)N1Cc2ccccc2C1)-n1ccc2ccccc12
Show InChI InChI=1S/C23H18N2O3/c26-21-12-22(27)20(25-10-9-15-5-3-4-8-19(15)25)11-18(21)23(28)24-13-16-6-1-2-7-17(16)14-24/h1-12,26-27H,13-14H2
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Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013905
PNG
(CHEMBL3260491)
Show SMILES Cc1ccc2n(ccc2c1)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Show InChI InChI=1S/C24H20N2O3/c1-15-6-7-20-16(10-15)8-9-26(20)21-11-19(22(27)12-23(21)28)24(29)25-13-17-4-2-3-5-18(17)14-25/h2-12,27-28H,13-14H2,1H3
PDB
MMDB

NCI pathway
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50013903
PNG
(CHEMBL3260489)
Show SMILES CNC(=O)c1cccc2n(ccc12)-c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
Show InChI InChI=1S/C25H21N3O4/c1-26-24(31)18-7-4-8-20-17(18)9-10-28(20)21-11-19(22(29)12-23(21)30)25(32)27-13-15-5-2-3-6-16(15)14-27/h2-12,29-30H,13-14H2,1H3,(H,26,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...


Bioorg Med Chem Lett 24: 2525-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.100
BindingDB Entry DOI: 10.7270/Q2QF8VDC
More data for this
Ligand-Target Pair