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BDBM50179010 CHEMBL378806::Mulberrofuran C

SMILES: CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1

InChI Key: InChIKey=WTGKDESIYCVAOP-UNTHUGQZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50179010   
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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50179010
PNG
(CHEMBL378806 | Mulberrofuran C)
Show SMILES CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 |t:1|
Show InChI InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of VHR DS-PTP


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50179010
PNG
(CHEMBL378806 | Mulberrofuran C)
Show SMILES CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1 |t:1|
Show InChI InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology (KRIBB)

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 16: 1426-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.071
BindingDB Entry DOI: 10.7270/Q2JQ10KT
More data for this
Ligand-Target Pair