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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with Target = 'Calmodulin' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Calmodulin


(Homo sapiens)
BDBM50266275
PNG
(CHEMBL456494 | Tajixanthone hydrate)
Show SMILES CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O
Show InChI InChI=1S/C25H28O7/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1
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PubMed
1.39E+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)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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1.93E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Calmodulin


(Homo sapiens)
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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50081950
PNG
(6-Hydroxy-2-phenyl-chromen-4-one | 6-Hydroxyflavon...)
Show SMILES Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
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n/an/a 5.17E+3n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
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=1S/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+/m1/s1
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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)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50266275
PNG
(CHEMBL456494 | Tajixanthone hydrate)
Show SMILES CC(=C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O
Show InChI InChI=1S/C25H28O7/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3/t14-,17+,21-/m1/s1
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n/an/a 5.62E+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)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 7.26E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Calmodulin


(Homo sapiens)
BDBM50346822
PNG
(CHEMBL66917)
Show SMILES COc1ccc(CCc2cc(O)cc(OC)c2)cc1
Show InChI InChI=1S/C16H18O3/c1-18-15-7-5-12(6-8-15)3-4-13-9-14(17)11-16(10-13)19-2/h5-11,17H,3-4H2,1-2H3
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n/an/a 9.38E+3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
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=1S/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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Calmodulin


(Homo sapiens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346811
PNG
(CHEMBL1796022)
Show SMILES C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346820
PNG
(CHEMBL1796013)
Show SMILES CCOc1ccc(CCc2cc(OC)cc(OC)c2)cc1OC
Show InChI InChI=1S/C19H24O4/c1-5-23-18-9-8-14(12-19(18)22-4)6-7-15-10-16(20-2)13-17(11-15)21-3/h8-13H,5-7H2,1-4H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346810
PNG
(CHEMBL268559)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C16H14O3/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11,17H,1H3/b11-4+
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n/an/a 2.25E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346806
PNG
(CHEMBL1796026)
Show SMILES Oc1cccc(CCCc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C16H16O3/c17-14-6-2-5-12(9-14)3-1-4-13-7-8-15-16(10-13)19-11-18-15/h2,5-10,17H,1,3-4,11H2
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n/an/a 2.29E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
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=1S/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-/m1/s1
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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)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346819
PNG
(CHEMBL1796014)
Show SMILES COc1cc(O)cc(CCc2ccc(cc2)N(C)C)c1
Show InChI InChI=1S/C17H21NO2/c1-18(2)15-8-6-13(7-9-15)4-5-14-10-16(19)12-17(11-14)20-3/h6-12,19H,4-5H2,1-3H3
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n/an/a 3.01E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346821
PNG
(CHEMBL1796012)
Show SMILES COc1cc(O)cc(CCc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C16H16O4/c1-18-14-7-12(6-13(17)9-14)3-2-11-4-5-15-16(8-11)20-10-19-15/h4-9,17H,2-3,10H2,1H3
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n/an/a 3.13E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346805
PNG
(CHEMBL1796027)
Show SMILES COc1cc(O)cc(CCCc2ccc(O)c(OC)c2)c1
Show InChI InChI=1S/C17H20O4/c1-20-15-9-13(8-14(18)11-15)5-3-4-12-6-7-16(19)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3
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n/an/a 3.25E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a 3.34E+4n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346818
PNG
(CHEMBL1796015)
Show SMILES COc1cc(CCc2ccc(cc2)N(C)C)cc(OC)c1
Show InChI InChI=1S/C18H23NO2/c1-19(2)16-9-7-14(8-10-16)5-6-15-11-17(20-3)13-18(12-15)21-4/h7-13H,5-6H2,1-4H3
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n/an/a 3.63E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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n/an/a 3.71E+4n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346809
PNG
(CHEMBL1796023)
Show SMILES COc1cc(O)cc(c1)C(=O)\C=C\c1ccc(OC)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-14-9-12(8-13(18)10-14)15(19)5-3-11-4-6-17(22-2)16(20)7-11/h3-10,18,20H,1-2H3/b5-3+
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n/an/a 3.77E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346815
PNG
(CHEMBL1796017)
Show SMILES CCOc1ccc(CCc2cccc(O)c2)cc1OC
Show InChI InChI=1S/C17H20O3/c1-3-20-16-10-9-14(12-17(16)19-2)8-7-13-5-4-6-15(18)11-13/h4-6,9-12,18H,3,7-8H2,1-2H3
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n/an/a 4.61E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346814
PNG
(CHEMBL1796018)
Show SMILES CCOc1ccc(CCc2cc(O)cc(OC)c2)cc1OC
Show InChI InChI=1S/C18H22O4/c1-4-22-17-8-7-13(11-18(17)21-3)5-6-14-9-15(19)12-16(10-14)20-2/h7-12,19H,4-6H2,1-3H3
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n/an/a 5.47E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346812
PNG
(CHEMBL1796021)
Show SMILES COc1cc(Cc2ccc(O)c(OC)c2)cc(OC)c1
Show InChI InChI=1S/C16H18O4/c1-18-13-7-12(8-14(10-13)19-2)6-11-4-5-15(17)16(9-11)20-3/h4-5,7-10,17H,6H2,1-3H3
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n/an/a 5.47E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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n/an/a 5.52E+4n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346813
PNG
(CHEMBL1796020)
Show SMILES COc1cc(Cc2cccc(OC)c2O)cc(OC)c1
Show InChI InChI=1S/C16H18O4/c1-18-13-8-11(9-14(10-13)19-2)7-12-5-4-6-15(20-3)16(12)17/h4-6,8-10,17H,7H2,1-3H3
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n/an/a 5.62E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346808
PNG
(CHEMBL1796024)
Show SMILES COc1cc(O)cc(c1)C(=O)\C=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C17H16O5/c1-21-14-9-12(8-13(18)10-14)15(19)5-3-11-4-6-16(20)17(7-11)22-2/h3-10,18,20H,1-2H3/b5-3+
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n/an/a 5.73E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346807
PNG
(CHEMBL1796025)
Show SMILES COc1ccc(CCCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C16H18O2/c1-18-16-11-7-14(8-12-16)4-2-3-13-5-9-15(17)10-6-13/h5-12,17H,2-4H2,1H3
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n/an/a 6.27E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM61776
PNG
((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
Show InChI InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of calmodulin assessed as inhibition of calmodulin-calcium-PDE4 complex formation


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM61776
PNG
((2S)-2-(4-methoxy-3-oxidanyl-phenyl)-7-[(2S,3R,4S,...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
Show InChI InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of calmodulin assessed as inhibition of calmodulin-calcium-PDE1 complex formation


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346817
PNG
(CHEMBL1796016)
Show SMILES Oc1cccc(CCc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C15H14O3/c16-13-3-1-2-11(8-13)4-5-12-6-7-14-15(9-12)18-10-17-14/h1-3,6-9,16H,4-5,10H2
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n/an/a 7.59E+4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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n/an/a 1.02E+5n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrop...


Bioorg Med Chem 19: 542-6 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346823
PNG
(GIGANTOL)
Show SMILES COc1cc(O)cc(CCc2ccc(O)c(OC)c2)c1
Show InChI InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-15(18)16(9-11)20-2/h5-10,17-18H,3-4H2,1-2H3
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n/an/a 1.14E+5n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM50346816
PNG
(CHEMBL467338)
Show SMILES COc1ccc(CCc2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H20O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h6-12H,4-5H2,1-3H3
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n/an/a 1.46E+5n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Inhibition of Calmodulin-dependent PDE1 activity assessed as inorganic phosphate release after 30 min


Eur J Med Chem 46: 2699-708 (2011)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM59172
PNG
(BN2)
Show SMILES O=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12
Show InChI InChI=1S/C26H20N2O4S2/c29-33(30,25-16-5-10-19-8-1-3-14-23(19)25)27-21-12-7-13-22(18-21)28-34(31,32)26-17-6-11-20-9-2-4-15-24(20)26/h1-18,27-28H
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n/an/an/a 10n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM59171
PNG
(BN1)
Show SMILES O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C26H20N2O4S2/c29-33(30,25-13-5-9-19-7-1-3-11-23(19)25)27-21-15-17-22(18-16-21)28-34(31,32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H
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n/an/an/a 70n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM59170
PNG
(BT2)
Show SMILES COC(=O)[C@@H](CC(=O)Cc1ccc(\C=C\c2ccc(CC(=O)C[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2)cc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C44H42N2O6/c1-51-43(49)33(23-35-27-45-41-9-5-3-7-39(35)41)25-37(47)21-31-17-13-29(14-18-31)11-12-30-15-19-32(20-16-30)22-38(48)26-34(44(50)52-2)24-36-28-46-42-10-6-4-8-40(36)42/h3-20,27-28,33-34,45-46H,21-26H2,1-2H3/b12-11+/t33-,34-/m1/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM59169
PNG
(BT1)
Show SMILES COC(=O)[C@@H](CC(=O)c1cccc(c1)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C34H32N2O6/c1-41-33(39)23(15-25-19-35-29-12-5-3-10-27(25)29)17-31(37)21-8-7-9-22(14-21)32(38)18-24(34(40)42-2)16-26-20-36-30-13-6-4-11-28(26)30/h3-14,19-20,23-24,35-36H,15-18H2,1-2H3/t23-,24-/m1/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of Sheffield



Assay Description
Experiments were conducted with HITACHI-4500 and Shimadzu RF-5301 fluorescence spectrophotometer.


Chem Biol 12: 89-97 (2005)

More data for this
Ligand-Target Pair
Calmodulin


(Homo sapiens)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Binding affinity to calmodulin (unknown origin)


J Med Chem 51: 3081-93 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin


(Homo sapiens)
BDBM50260600
PNG
(CHEMBL495235 | N-(3,3,-DIPHENYLPROPYL)-N'-[1-R-(2 ...)
Show SMILES CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H48N2O2/c1-4-6-25-37-33-20-19-31(27-34(33)38-26-7-5-2)28(3)36-23-14-22-35-24-21-32(29-15-10-8-11-16-29)30-17-12-9-13-18-30/h8-13,15-20,27-28,32,35-36H,4-7,14,21-26H2,1-3H3/t28-/m1/s1
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n/an/an/a 18n/an/an/an/an/a



Semmelweis University

Curated by ChEMBL


Assay Description
Binding affinity to calmodulin (unknown origin)


J Med Chem 51: 3081-93 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)