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BDBM50116713 (2R,3R)-2-(2,4-Dihydroxy-phenyl)-3,7-dihydroxy-8-(5-hydroxy-2-isopropenyl-5-methyl-hexyl)-5-methoxy-chroman-4-one::CHEMBL77703

SMILES: COc1cc(O)c(CC(CCC(C)(C)O)C(C)=C)c2O[C@@H]([C@@H](O)C(=O)c12)c1ccc(O)cc1O

InChI Key: InChIKey=YWHHRFNOJTVNBI-SBCNVUAESA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50116713   
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
Phosphodiesterase 5A


(Rattus norvegicus)
BDBM50116713
PNG
((2R,3R)-2-(2,4-Dihydroxy-phenyl)-3,7-dihydroxy-8-(...)
Show SMILES COc1cc(O)c(CC(CCC(C)(C)O)C(C)=C)c2O[C@@H]([C@@H](O)C(=O)c12)c1ccc(O)cc1O
Show InChI InChI=1S/C26H32O8/c1-13(2)14(8-9-26(3,4)32)10-17-19(29)12-20(33-5)21-22(30)23(31)25(34-24(17)21)16-7-6-15(27)11-18(16)28/h6-7,11-12,14,23,25,27-29,31-32H,1,8-10H2,2-5H3/t14?,23-,25+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.75E+3n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rat diaphragm


Bioorg Med Chem Lett 12: 2313-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00401-8
BindingDB Entry DOI: 10.7270/Q21R6R2S
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50116713
PNG
((2R,3R)-2-(2,4-Dihydroxy-phenyl)-3,7-dihydroxy-8-(...)
Show SMILES COc1cc(O)c(CC(CCC(C)(C)O)C(C)=C)c2O[C@@H]([C@@H](O)C(=O)c12)c1ccc(O)cc1O
Show InChI InChI=1S/C26H32O8/c1-13(2)14(8-9-26(3,4)32)10-17-19(29)12-20(33-5)21-22(30)23(31)25(34-24(17)21)16-7-6-15(27)11-18(16)28/h6-7,11-12,14,23,25,27-29,31-32H,1,8-10H2,2-5H3/t14?,23-,25+/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.87E+4n/an/an/an/an/an/a



Korea Institute of Science& Technology

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from rat liver


Bioorg Med Chem Lett 12: 2313-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00401-8
BindingDB Entry DOI: 10.7270/Q21R6R2S
More data for this
Ligand-Target Pair