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PubMed code 16038560

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50241852
PNG
(CHEMBL469613 | Rubrofusarin B)
Show SMILES COc1cc(OC)c2c(O)c3c(cc2c1)oc(C)cc3=O
Show InChI InChI=1S/C16H14O5/c1-8-4-11(17)15-13(21-8)6-9-5-10(19-2)7-12(20-3)14(9)16(15)18/h4-7,18H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.68E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


J Nat Prod 68: 1106-8 (2005)


Article DOI: 10.1021/np050059p
BindingDB Entry DOI: 10.7270/Q2M908FF
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50241853
PNG
(CHEMBL451678 | fonsecinone A)
Show SMILES COc1cc(OC)c2c(O)c3c(oc(C)cc3=O)c(-c3c(OC)cc4cc(O)c5c(oc(C)cc5=O)c4c3OC)c2c1 |(9.32,-12.21,;9.32,-10.66,;10.66,-9.9,;10.67,-8.34,;12.01,-7.58,;12.02,-6.04,;10.69,-5.26,;13.34,-8.36,;14.67,-7.6,;14.68,-6.05,;16,-8.37,;16.01,-9.91,;17.33,-10.68,;18.66,-9.9,;20,-10.66,;18.65,-8.36,;17.32,-7.6,;17.31,-6.06,;14.67,-10.68,;14.67,-12.22,;13.33,-12.99,;12,-12.21,;10.66,-12.98,;13.33,-14.53,;14.67,-15.3,;14.66,-16.84,;16,-17.61,;16,-19.15,;17.33,-16.83,;17.33,-15.29,;18.66,-14.52,;19.98,-15.3,;21.32,-14.53,;19.98,-16.83,;18.65,-17.59,;18.65,-19.13,;16,-14.53,;16,-12.99,;17.34,-12.22,;18.67,-12.99,;13.34,-9.91,;12.01,-10.67,)|
Show InChI InChI=1S/C32H26O10/c1-13-7-18(33)26-20(35)9-15-10-21(38-4)28(30(40-6)23(15)31(26)41-13)25-17-11-16(37-3)12-22(39-5)24(17)29(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.95E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


J Nat Prod 68: 1106-8 (2005)


Article DOI: 10.1021/np050059p
BindingDB Entry DOI: 10.7270/Q2M908FF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%