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3 similar compounds to monomer 50266275

Compile data set for download or QSAR
Wt: 406.4
BDBM50242273
Wt: 458.9
BDBM50266273
Wt: 452.4
BDBM50266274

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50242273,50266273,50266274   
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
Calmodulin


(Homo sapiens (Human))
BDBM50266274
PNG
(14-methoxytajixanthone | CHEMBL515370)
Show SMILES CO[C@H]([C@@H]1OC1(C)C)c1ccc(O)c2c1oc1cc(C)c3OC[C@@H]([C@@H](O)c3c1c2=O)C(C)=C
Show InChI InChI=1/C26H28O7/c1-11(2)14-10-31-22-12(3)9-16-18(19(22)20(14)28)21(29)17-15(27)8-7-13(23(17)32-16)24(30-6)25-26(4,5)33-25/h7-9,14,20,24-25,27-28H,1,10H2,2-6H3/t14-,20-,24+,25+/s2
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Article
PubMed
2.54E+4n/an/an/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release using v...


Bioorg Med Chem 17: 2167-74 (2009)


Article DOI: 10.1016/j.bmc.2008.10.079
BindingDB Entry DOI: 10.7270/Q2V124NN
More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens (Human))
BDBM50242273
PNG
(CHEMBL469860 | shamixanthone)
Show SMILES CC(C)=CCc1ccc(O)c2c1oc1cc(C)c3OC[C@@H]([C@@H](O)c3c1c2=O)C(C)=C
Show InChI InChI=1/C25H26O5/c1-12(2)6-7-15-8-9-17(26)19-23(28)20-18(30-25(15)19)10-14(5)24-21(20)22(27)16(11-29-24)13(3)4/h6,8-10,16,22,26-27H,3,7,11H2,1-2,4-5H3/t16-,22-/s2
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Article
PubMed
n/an/a 2.92E+4n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spec...


Bioorg Med Chem 17: 2167-74 (2009)


Article DOI: 10.1016/j.bmc.2008.10.079
BindingDB Entry DOI: 10.7270/Q2V124NN
More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens (Human))
BDBM50266273
PNG
(15-chlorotajixanthone hydrate | CHEMBL458017)
Show SMILES CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](Cl)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O
Show InChI InChI=1/C25H27ClO6/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(27)7-6-13(24(18)32-16)9-17(26)25(4,5)30/h6-8,14,17,21,27-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/s2
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PubMed
n/an/a 9.59E+3n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spec...


Bioorg Med Chem 17: 2167-74 (2009)


Article DOI: 10.1016/j.bmc.2008.10.079
BindingDB Entry DOI: 10.7270/Q2V124NN
More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens (Human))
BDBM50266274
PNG
(14-methoxytajixanthone | CHEMBL515370)
Show SMILES CO[C@H]([C@@H]1OC1(C)C)c1ccc(O)c2c1oc1cc(C)c3OC[C@@H]([C@@H](O)c3c1c2=O)C(C)=C
Show InChI InChI=1/C26H28O7/c1-11(2)14-10-31-22-12(3)9-16-18(19(22)20(14)28)21(29)17-15(27)8-7-13(23(17)32-16)24(30-6)25-26(4,5)33-25/h7-9,14,20,24-25,27-28H,1,10H2,2-6H3/t14-,20-,24+,25+/s2
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Article
PubMed
n/an/a 5.54E+3n/an/an/an/an/an/a



Universidad Nacional Autónoma de México

Curated by ChEMBL


Assay Description
Inhibition of recombinant calmodulin (unknown origin) mediated bovine brain PDE1 activation assessed as effect on inorganic phosphate release by spec...


Bioorg Med Chem 17: 2167-74 (2009)


Article DOI: 10.1016/j.bmc.2008.10.079
BindingDB Entry DOI: 10.7270/Q2V124NN
More data for this
Ligand-Target Pair