BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'tomasi' and Initial = 's'   
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
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Es...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in E...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056928
PNG
(3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...)
Show SMILES CCCCCc1cc(O)cc2OC(=O)c3c(Oc12)cc(O)cc3C(=O)CCCC
Show InChI InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Es...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475621
PNG
(CHEMBL371434)
Show SMILES CN(C1c2ccccc2N=C(NCCCNCCCCNCCCN)C1(C)C)c1ccccc1
Show InChI InChI=1S/C28H44N6/c1-28(2)26(34(3)23-13-5-4-6-14-23)24-15-7-8-16-25(24)33-27(28)32-22-12-21-31-19-10-9-18-30-20-11-17-29/h4-8,13-16,26,30-31H,9-12,17-22,29H2,1-3H3,(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in Escherichia coli B...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475612
PNG
(CHEMBL201169)
Show SMILES CNc1cccc2[C@H]3c4ccccc4N=C(NCCCNCCCCNCCCN)[C@@]3(C)C[C@@H](C)c12
Show InChI InChI=1S/C30H46N6/c1-22-21-30(2)28(24-12-8-14-26(32-3)27(22)24)23-11-4-5-13-25(23)36-29(30)35-20-10-19-34-17-7-6-16-33-18-9-15-31/h4-5,8,11-14,22,28,32-34H,6-7,9-10,15-21,31H2,1-3H3,(H,35,36)/t22-,28-,30+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Escherichia coli BL...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056928
PNG
(3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...)
Show SMILES CCCCCc1cc(O)cc2OC(=O)c3c(Oc12)cc(O)cc3C(=O)CCCC
Show InChI InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Escherichia coli BL...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056928
PNG
(3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...)
Show SMILES CCCCCc1cc(O)cc2OC(=O)c3c(Oc12)cc(O)cc3C(=O)CCCC
Show InChI InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



University College London

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in Escherichia coli B...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475614
PNG
(CHEMBL201249)
Show SMILES CC1C[C@@]2(C)[C@@H](N(C)c3ccccc13)c1ccccc1N=C2NCCCNCCCCNCCCN
Show InChI InChI=1S/C30H46N6/c1-23-22-30(2)28(36(3)27-15-7-5-12-24(23)27)25-13-4-6-14-26(25)35-29(30)34-21-11-20-33-18-9-8-17-32-19-10-16-31/h4-7,12-15,23,28,32-33H,8-11,16-22,31H2,1-3H3,(H,34,35)/t23?,28-,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475620
PNG
(CHEMBL372819)
Show SMILES CNc1cccc2[C@H]3c4ccccc4N=C(NCCCNCCCCN)[C@@]3(C)C[C@@H](C)c12
Show InChI InChI=1S/C27H39N5/c1-19-18-27(2)25(21-11-8-13-23(29-3)24(19)21)20-10-4-5-12-22(20)32-26(27)31-17-9-16-30-15-7-6-14-28/h4-5,8,10-13,19,25,29-30H,6-7,9,14-18,28H2,1-3H3,(H,31,32)/t19-,25-,27+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475624
PNG
(CHEMBL202832)
Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCNCCCCNCCCN)C1(C)C
Show InChI InChI=1S/C28H44N6/c1-28(2)26(22-12-14-23(30-3)15-13-22)24-10-4-5-11-25(24)34-27(28)33-21-9-20-32-18-7-6-17-31-19-8-16-29/h4-5,10-15,26,30-32H,6-9,16-21,29H2,1-3H3,(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056928
PNG
(3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...)
Show SMILES CCCCCc1cc(O)cc2OC(=O)c3c(Oc12)cc(O)cc3C(=O)CCCC
Show InChI InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.44E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in E...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.96E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assay


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475615
PNG
(CHEMBL425927)
Show SMILES CN(C1c2ccccc2N=C(NCCCNCCCCN)C1(C)C)c1ccccc1
Show InChI InChI=1S/C25H37N5/c1-25(2)23(30(3)20-12-5-4-6-13-20)21-14-7-8-15-22(21)29-24(25)28-19-11-18-27-17-10-9-16-26/h4-8,12-15,23,27H,9-11,16-19,26H2,1-3H3,(H,28,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475617
PNG
(CHEMBL433988)
Show SMILES CN(C1c2ccccc2N=C(NCCCCN)C1(C)C)c1ccccc1
Show InChI InChI=1S/C22H30N4/c1-22(2)20(26(3)17-11-5-4-6-12-17)18-13-7-8-14-19(18)25-21(22)24-16-10-9-15-23/h4-8,11-14,20H,9-10,15-16,23H2,1-3H3,(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475616
PNG
(CHEMBL199878)
Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCNCCCCN)C1(C)C
Show InChI InChI=1S/C25H37N5/c1-25(2)23(19-11-13-20(27-3)14-12-19)21-9-4-5-10-22(21)30-24(25)29-18-8-17-28-16-7-6-15-26/h4-5,9-14,23,27-28H,6-8,15-18,26H2,1-3H3,(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 6.40E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM86164
PNG
(N1-DnsSpm | N1-dansyl-spermidine)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C22H37N5O2S/c1-27(2)21-11-5-10-20-19(21)9-6-12-22(20)30(28,29)26-18-8-17-25-15-4-3-14-24-16-7-13-23/h5-6,9-12,24-26H,3-4,7-8,13-18,23H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL


Assay Description
Inhibition of calmodulin dependent phosphodiesterase


Bioorg Med Chem Lett 8: 635-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00086-9
BindingDB Entry DOI: 10.7270/Q2NV9MFT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475623
PNG
(CHEMBL382499)
Show SMILES CNc1cccc2[C@H]3c4ccccc4N=C(NCCCCN)[C@@]3(C)C[C@@H](C)c12
Show InChI InChI=1S/C24H32N4/c1-16-15-24(2)22(18-10-8-12-20(26-3)21(16)18)17-9-4-5-11-19(17)28-23(24)27-14-7-6-13-25/h4-5,8-12,16,22,26H,6-7,13-15,25H2,1-3H3,(H,27,28)/t16-,22-,24+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Centromere-associated protein E


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.14E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of human CENP-E by pyruvate kinase/lactate dehydrogenase-linked assay


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475613
PNG
(CHEMBL102072)
Show SMILES CC1C[C@@]2(C)[C@@H](N(C)c3ccccc13)c1ccccc1N=C2NCCCCN
Show InChI InChI=1S/C24H32N4/c1-17-16-24(2)22(28(3)21-13-7-5-10-18(17)21)19-11-4-6-12-20(19)27-23(24)26-15-9-8-14-25/h4-7,10-13,17,22H,8-9,14-16,25H2,1-3H3,(H,26,27)/t17?,22-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 1.16E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50216731
PNG
(CHEMBL158848)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H29N5O3/c18-9-3-12-19-10-1-2-11-20-13-4-14-21-17(23)15-5-7-16(8-6-15)22(24)25/h5-8,19-20H,1-4,9-14,18H2,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.49E+5n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL


Assay Description
Inhibition of calmodulin dependent phosphodiesterase


Bioorg Med Chem Lett 8: 635-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00086-9
BindingDB Entry DOI: 10.7270/Q2NV9MFT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50216732
PNG
(CHEMBL423054)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNCc1ccccc1
Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.13E+5n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL


Assay Description
Inhibition of calmodulin dependent phosphodiesterase


Bioorg Med Chem Lett 8: 635-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00086-9
BindingDB Entry DOI: 10.7270/Q2NV9MFT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475618
PNG
(CHEMBL199956)
Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCCN)C1(C)C
Show InChI InChI=1S/C22H30N4/c1-22(2)20(16-10-12-17(24-3)13-11-16)18-8-4-5-9-19(18)26-21(22)25-15-7-6-14-23/h4-5,8-13,20,24H,6-7,14-15,23H2,1-3H3,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a 3.73E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475622
PNG
(CHEMBL438266)
Show SMILES NCCCNCCCCNCCCNC1=Nc2ccccc2CC1
Show InChI InChI=1S/C19H33N5/c20-11-5-14-21-12-3-4-13-22-15-6-16-23-19-10-9-17-7-1-2-8-18(17)24-19/h1-2,7-8,21-22H,3-6,9-16,20H2,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475619
PNG
(CHEMBL446186)
Show SMILES CN(C1c2ccccc2N=C(NCCCO)C1(C)C)c1ccccc1
Show InChI InChI=1S/C21H27N3O/c1-21(2)19(24(3)16-10-5-4-6-11-16)17-12-7-8-13-18(17)23-20(21)22-14-9-15-25/h4-8,10-13,19,25H,9,14-15H2,1-3H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50009353
PNG
(1,5,10-triazadecane | 4-azaoctamethylenediamine | ...)
Show SMILES NCCCCNCCCN
Show InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475611
PNG
(CHEMBL275659)
Show SMILES CC1C[C@@]2(C)[C@@H](N(C)c3ccccc13)c1ccccc1N=C2NCCCO
Show InChI InChI=1S/C23H29N3O/c1-16-15-23(2)21(26(3)20-12-7-5-9-17(16)20)18-10-4-6-11-19(18)25-22(23)24-13-8-14-27/h4-7,9-12,16,21,27H,8,13-15H2,1-3H3,(H,24,25)/t16?,21-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50009385
PNG
(1,4-butylenediamine | 1,4-tetramethylenediamine | ...)
Show InChI InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475609
PNG
(CHEMBL201076)
Show SMILES OCCCNC1=Nc2ccccc2CC1
Show InChI InChI=1S/C12H16N2O/c15-9-3-8-13-12-7-6-10-4-1-2-5-11(10)14-12/h1-2,4-5,15H,3,6-9H2,(H,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475608
PNG
(CHEMBL383190)
Show SMILES NCCCCNC1=Nc2ccccc2CC1
Show InChI InChI=1S/C13H19N3/c14-9-3-4-10-15-13-8-7-11-5-1-2-6-12(11)16-13/h1-2,5-6H,3-4,7-10,14H2,(H,15,16)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50475610
PNG
(CHEMBL372198)
Show SMILES NCCCCNCCCNC1=Nc2ccccc2CC1
Show InChI InChI=1S/C16H26N4/c17-10-3-4-11-18-12-5-13-19-16-9-8-14-6-1-2-7-15(14)20-16/h1-2,6-7,18H,3-5,8-13,17H2,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50216729
PNG
(CHEMBL422519)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)Nc1ccccc1
Show InChI InChI=1S/C17H31N5O/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-17(23)22-16-8-2-1-3-9-16/h1-3,8-9,19-20H,4-7,10-15,18H2,(H2,21,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.84E+5n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL


Assay Description
Inhibition of calmodulin dependent phosphodiesterase


Bioorg Med Chem Lett 8: 635-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00086-9
BindingDB Entry DOI: 10.7270/Q2NV9MFT
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50216730
PNG
(CHEMBL156809)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNc1ccccc1
Show InChI InChI=1S/C16H30N4/c17-10-6-13-18-11-4-5-12-19-14-7-15-20-16-8-2-1-3-9-16/h1-3,8-9,18-20H,4-7,10-15,17H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.50E+6n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL


Assay Description
Inhibition of calmodulin dependent phosphodiesterase


Bioorg Med Chem Lett 8: 635-40 (1998)


Article DOI: 10.1016/s0960-894x(98)00086-9
BindingDB Entry DOI: 10.7270/Q2NV9MFT
More data for this
Ligand-Target Pair