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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with Target = 'Calmodulin'   
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


(Bos taurus)
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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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Displacement of [3H]W-7 from bovine brain CaM


Eur J Med Chem 116: 36-45 (2016)

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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


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


(Bos taurus)
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 8.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to CaM (unknown origin) by equilibrium dialysis method


Eur J Med Chem 116: 36-45 (2016)

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


Citation and Details
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...


Citation and Details
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


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


(Bos taurus)
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Displacement of [3H]trifluoperazine from bovine brain CaM in presence of calcium


Eur J Med Chem 116: 36-45 (2016)

More data for this
Ligand-Target Pair
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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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n/an/a 1.36E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Displacement of [3H] ifenprodil from bovine CaM-agarose incubated for 30 mins by liquid scintillation spectrometric analysis


Eur J Med Chem 116: 36-45 (2016)

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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to CaM (unknown origin) by equilibrium dialysis method


Eur J Med Chem 116: 36-45 (2016)

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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50017696
PNG
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to CaM (unknown origin) by equilibrium dialysis method


Eur J Med Chem 116: 36-45 (2016)

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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 1.40E+5n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Competitive binding affinity to human recombinant CaM by Cy5 dye labeled W-7-based fluorescence polarization analysis


Eur J Med Chem 116: 36-45 (2016)

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


Citation and Details
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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50017723
PNG
((3,3-Diphenyl-propyl)-(1-methyl-2-phenyl-ethyl)-am...)
Show SMILES CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
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n/an/an/a 500n/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+


Eur J Med Chem 116: 36-45 (2016)

More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM61401
PNG
(3,3-diphenyl-N-(1-phenylethyl)-1-propanamine;hydro...)
Show SMILES CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
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n/an/an/a 500n/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+


Eur J Med Chem 116: 36-45 (2016)

More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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n/an/an/a 7.20E+3n/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+


Eur J Med Chem 116: 36-45 (2016)

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


(Bos taurus)
BDBM50165124
PNG
(CHEMBL3798296)
Show SMILES COc1cccc(CN(CCN(CCN(C)C)Cc2ccccc2)Cc2ccccc2)c1
Show InChI InChI=1S/C28H37N3O/c1-29(2)17-18-30(22-25-11-6-4-7-12-25)19-20-31(23-26-13-8-5-9-14-26)24-27-15-10-16-28(21-27)32-3/h4-16,21H,17-20,22-24H2,1-3H3
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n/an/an/a 850n/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to CaM (unknown origin) by isothermal titration calorimetric analysis in presence of calcium2+


Eur J Med Chem 116: 36-45 (2016)

More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50017723
PNG
((3,3-Diphenyl-propyl)-(1-methyl-2-phenyl-ethyl)-am...)
Show SMILES CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
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n/an/an/an/a 2.40E+3n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to dansylated bovine brain CaM assessed as half maximal increase in fluorescence by fluorescence analysis


Eur J Med Chem 116: 36-45 (2016)

More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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n/an/an/an/a 7.20E+3n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to dansylated bovine brain CaM assessed as half maximal increase in fluorescence by fluorescence analysis


Eur J Med Chem 116: 36-45 (2016)

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