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BDBM50206442 2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one::CHEMBL375328::cid_70420

SMILES: Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O

InChI Key: InChIKey=YDCFOUBAMGLLKA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50206442   
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
mothers against decapentaplegic homolog 3


(Homo sapiens (Human))
BDBM50206442
PNG
(2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H
PDB
MMDB

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PCBioAssay
n/an/a<1.25E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21R6NZ6
More data for this
Ligand-Target Pair
RmtA


(Emericella nidulans)
BDBM50206442
PNG
(2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H
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Article
PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells


J Med Chem 50: 1241-53 (2007)


Article DOI: 10.1021/jm061213n
BindingDB Entry DOI: 10.7270/Q29887TV
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50206442
PNG
(2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H
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n/an/a 1.26E+5n/an/an/an/an/an/a



Universit£ degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells


J Med Chem 50: 1241-53 (2007)


Article DOI: 10.1021/jm061213n
BindingDB Entry DOI: 10.7270/Q29887TV
More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose reductase


(Mycobacterium tuberculosis)
BDBM50206442
PNG
(2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O
Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H
KEGG

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n/an/a 900n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis RmlD assessed as inhibition of dTDP-beta-6-deoxy-L-lyxo-4-hexulose to dTDP-beta-L-rhamnose conversion


Bioorg Med Chem Lett 21: 7064-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.094
BindingDB Entry DOI: 10.7270/Q2RB752H
More data for this
Ligand-Target Pair