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BDBM50179011 CHEMBL380456::Moracin P

SMILES: CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1

InChI Key: InChIKey=QFUCSEIKNTUPPA-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50179011   
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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of HIF-1alpha in human Hep3B cells assessed as decrease in VEGF level after 20 hrs by ELISA


Eur J Med Chem 90: 379-93 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.047
BindingDB Entry DOI: 10.7270/Q2GF0W5F
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 alpha


(Homo sapiens (Human))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 0.650n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI-mediated trans-2-octenoyl N-acetylcysteamine (t-o-NAC thioester) substrate reduction assessed as decrease in...


Eur J Med Chem 90: 379-93 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.047
BindingDB Entry DOI: 10.7270/Q2GF0W5F
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1 alpha


(Homo sapiens (Human))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Eur J Med Chem 90: 379-93 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.047
BindingDB Entry DOI: 10.7270/Q2GF0W5F
More data for this
Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1


(Rattus norvegicus)
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 1.09E+5n/an/an/an/an/an/a



Centre of Experimental Medicine SAS

Curated by ChEMBL


Assay Description
Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay


ACS Med Chem Lett 11: 1006-1013 (2020)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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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 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
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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n/an/a 10.7n/an/an/an/an/an/a



Dongguk University-Seoul

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1alpha activation in human Hep3B cells after 16 hrs by HRE-luciferase reporter assay


Eur J Med Chem 46: 2386-96 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.022
BindingDB Entry DOI: 10.7270/Q2WD40XF
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50179011
PNG
(CHEMBL380456 | Moracin P)
Show SMILES CC1(C)Oc2cc3oc(cc3cc2CC1O)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C19H18O5/c1-19(2)18(22)7-11-3-10-6-15(23-16(10)9-17(11)24-19)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3
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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