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Compile Data Set for Download or QSAR

Found 8 hits of kd for UniProtKB: P54750   
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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50537770
PNG
(CHEMBL4642086)
Show SMILES [H][C@]12N3CCC[C@@]1(CC)C=C(COC(=S)NC1CCCCC1)n1c2c(CC3)c2ccccc12 |r,t:10|
Show InChI InChI=1S/C27H35N3OS/c1-2-27-14-8-15-29-16-13-22-21-11-6-7-12-23(21)30(24(22)25(27)29)20(17-27)18-31-26(32)28-19-9-4-3-5-10-19/h6-7,11-12,17,19,25H,2-5,8-10,13-16,18H2,1H3,(H,28,32)/t25-,27+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.10n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.05.052
BindingDB Entry DOI: 10.7270/Q2VX0M21
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50537798
PNG
(CHEMBL4637690)
Show SMILES [H][C@]12N3CCC[C@@]1(CC)C=C(COC(=S)N(C(=O)N1CCOCC1)c1ccccc1)n1c2c(CC3)c2ccccc12 |r,t:10|
Show InChI InChI=1S/C32H36N4O3S/c1-2-32-14-8-15-33-16-13-26-25-11-6-7-12-27(25)35(28(26)29(32)33)24(21-32)22-39-31(40)36(23-9-4-3-5-10-23)30(37)34-17-19-38-20-18-34/h3-7,9-12,21,29H,2,8,13-20,22H2,1H3/t29-,32+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.80n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.05.052
BindingDB Entry DOI: 10.7270/Q2VX0M21
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50537785
PNG
(CHEMBL4645801)
Show SMILES [H][C@]12N3CCC[C@@]1(CC)C=C(COC(=S)Nc1cccc(F)c1)n1c2c(CC3)c2ccccc12 |r,t:10|
Show InChI InChI=1S/C27H28FN3OS/c1-2-27-12-6-13-30-14-11-22-21-9-3-4-10-23(21)31(24(22)25(27)30)20(16-27)17-32-26(33)29-19-8-5-7-18(28)15-19/h3-5,7-10,15-16,25H,2,6,11-14,17H2,1H3,(H,29,33)/t25-,27+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.90n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.05.052
BindingDB Entry DOI: 10.7270/Q2VX0M21
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50059033
PNG
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)
Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5|
Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
KEGG

UniProtKB/SwissProt

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antibodypedia
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Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 14n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.05.052
BindingDB Entry DOI: 10.7270/Q2VX0M21
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50537772
PNG
(CHEMBL4633023)
Show SMILES [H][C@]12N3CCC[C@@]1(CC)C=C(COC(=S)Nc1ccc(F)cc1)n1c2c(CC3)c2ccccc12 |r,t:10|
Show InChI InChI=1S/C27H28FN3OS/c1-2-27-13-5-14-30-15-12-22-21-6-3-4-7-23(21)31(24(22)25(27)30)20(16-27)17-32-26(33)29-19-10-8-18(28)9-11-19/h3-4,6-11,16,25H,2,5,12-15,17H2,1H3,(H,29,33)/t25-,27+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 16n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.05.052
BindingDB Entry DOI: 10.7270/Q2VX0M21
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50537792
PNG
(CHEMBL4638576)
Show SMILES [H][C@]12N3CCC[C@@]1(CC)C=C(CO\C(SC)=N\c1ccc(C)cc1)n1c2c(CC3)c2ccccc12 |r,t:10|
Show InChI InChI=1S/C29H33N3OS/c1-4-29-15-7-16-31-17-14-24-23-8-5-6-9-25(23)32(26(24)27(29)31)22(18-29)19-33-28(34-3)30-21-12-10-20(2)11-13-21/h5-6,8-13,18,27H,4,7,14-17,19H2,1-3H3/b30-28-/t27-,29+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 16n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.05.052
BindingDB Entry DOI: 10.7270/Q2VX0M21
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50537806
PNG
(CHEMBL4643091)
Show SMILES [H][C@]12N3CCC[C@@]1(CC)C=C(CNC(=S)Nc1ccc(Cl)cc1)n1c2c(CC3)c2ccccc12 |r,t:10|
Show InChI InChI=1S/C27H29ClN4S/c1-2-27-13-5-14-31-15-12-22-21-6-3-4-7-23(21)32(24(22)25(27)31)20(16-27)17-29-26(33)30-19-10-8-18(28)9-11-19/h3-4,6-11,16,25H,2,5,12-15,17H2,1H3,(H2,29,30,33)/t25-,27+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 46n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.05.052
BindingDB Entry DOI: 10.7270/Q2VX0M21
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM50537803
PNG
(CHEMBL4633227)
Show SMILES [H][C@]12N3CCC[C@@]1(CC)C=C(CNC(=S)NC(=O)c1ccc(OC)cc1)n1c2c(CC3)c2ccccc12 |r,t:10|
Show InChI InChI=1S/C29H32N4O2S/c1-3-29-14-6-15-32-16-13-23-22-7-4-5-8-24(22)33(25(23)26(29)32)20(17-29)18-30-28(36)31-27(34)19-9-11-21(35-2)12-10-19/h4-5,7-12,17,26H,3,6,13-16,18H2,1-2H3,(H2,30,31,34,36)/t26-,29+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 68n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to PDE1A (unknown origin) assessed as dissociation constant by SPR assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.05.052
BindingDB Entry DOI: 10.7270/Q2VX0M21
More data for this
Ligand-Target Pair