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BDBM50303005 CHEMBL570475::kuwanon J

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-[#6](=O)-[#6@@H]-1-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-1-c1c(-[#8])ccc(-[#6](=O)-[#6]=[#6]-c2ccc(-[#8])cc2-[#8])c1-[#8])-c1ccc(-[#8])cc1-[#8]

InChI Key: InChIKey=BDUDECZOBBDZCJ-WNSQYSPKSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50303005   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50303005
PNG
(CHEMBL570475 | kuwanon J)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-[#6](=O)-[#6@@H]-1-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-1-c1c(-[#8])ccc(-[#6](=O)-[#6]=[#6]-c2ccc(-[#8])cc2-[#8])c1-[#8])-c1ccc(-[#8])cc1-[#8] |r,w:30.31,c:20|
Show InChI InChI=1S/C40H38O10/c1-20(2)4-9-27-34(46)16-23(17-35(27)47)39(49)37-29(26-10-8-25(42)19-36(26)48)14-21(3)15-30(37)38-32(44)13-11-28(40(38)50)31(43)12-6-22-5-7-24(41)18-33(22)45/h4-8,10-13,15-19,29-30,37,41-42,44-48,50H,9,14H2,1-3H3/t29-,30+,37-/m1/s1
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MMDB

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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


Bioorg Med Chem Lett 19: 6759-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.102
BindingDB Entry DOI: 10.7270/Q2222VQF
More data for this
Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A


(Homo sapiens (Human))
BDBM50303005
PNG
(CHEMBL570475 | kuwanon J)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-[#6](=O)-[#6@@H]-1-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-1-c1c(-[#8])ccc(-[#6](=O)-[#6]=[#6]-c2ccc(-[#8])cc2-[#8])c1-[#8])-c1ccc(-[#8])cc1-[#8] |r,w:30.31,c:20|
Show InChI InChI=1S/C40H38O10/c1-20(2)4-9-27-34(46)16-23(17-35(27)47)39(49)37-29(26-10-8-25(42)19-36(26)48)14-21(3)15-30(37)38-32(44)13-11-28(40(38)50)31(43)12-6-22-5-7-24(41)18-33(22)45/h4-8,10-13,15-19,29-30,37,41-42,44-48,50H,9,14H2,1-3H3/t29-,30+,37-/m1/s1
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Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Korean Research Institute of Biosciences and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cells treated for 30 mins measured after 12 hrs by Western blot analysis


J Nat Prod 72: 39-43 (2009)


Article DOI: 10.1021/np800491u
BindingDB Entry DOI: 10.7270/Q27947GK
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50303005
PNG
(CHEMBL570475 | kuwanon J)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-[#6](=O)-[#6@@H]-1-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-1-c1c(-[#8])ccc(-[#6](=O)-[#6]=[#6]-c2ccc(-[#8])cc2-[#8])c1-[#8])-c1ccc(-[#8])cc1-[#8] |r,w:30.31,c:20|
Show InChI InChI=1S/C40H38O10/c1-20(2)4-9-27-34(46)16-23(17-35(27)47)39(49)37-29(26-10-8-25(42)19-36(26)48)14-21(3)15-30(37)38-32(44)13-11-28(40(38)50)31(43)12-6-22-5-7-24(41)18-33(22)45/h4-8,10-13,15-19,29-30,37,41-42,44-48,50H,9,14H2,1-3H3/t29-,30+,37-/m1/s1
PDB

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UniProtKB/TrEMBL

antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.55E+3n/an/an/an/an/an/a



Korean Research Institute of Biosciences and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human Hep3B cells by pGL3-HRE-luciferase reporter gene assay


J Nat Prod 72: 39-43 (2009)


Article DOI: 10.1021/np800491u
BindingDB Entry DOI: 10.7270/Q27947GK
More data for this
Ligand-Target Pair