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BDBM50019865 CHEMBL3286929

SMILES: C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1

InChI Key: InChIKey=LTZKEDSUXKTTTC-KXQOOQHDSA-N

Data: 2 IC50  5 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50019865   
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
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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PubMed
n/an/an/a 1.10n/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Binding affinity to PDE-delta (unknown origin) by time-resolved fluorescence anisotropic analysis


J Med Chem 57: 5435-48 (2014)


Article DOI: 10.1021/jm500632s
BindingDB Entry DOI: 10.7270/Q24Q7WJP
More data for this
Ligand-Target Pair
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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PubMed
n/an/an/a 24n/an/an/an/an/a



School of Pharmacy, Second Military Medical University , Shanghai 200433, China.

Curated by ChEMBL


Assay Description
Inhibition of Atrovastatin-PEG3-FITC binding to PDEdelta (unknown origin) incubated for 60 mins by fluorescence anisotropy assay


J Med Chem 60: 9400-9406 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01243
BindingDB Entry DOI: 10.7270/Q2571FDQ
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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PubMed
n/an/an/a 38n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged PDEdelta (unknown origin) by isothermal titration calorimetry


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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PubMed
n/an/an/a<10n/an/an/an/an/a



Second Military Medical University

Curated by ChEMBL


Assay Description
Binding affinity to PDEdelta (unknown origin)


J Med Chem 63: 7892-7905 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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Article
PubMed
n/an/an/a 38n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged PDEdelta (unknown origin) by isothermal titration calorimetry


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50019865
PNG
(CHEMBL3286929)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccccc2n1Cc1ccccc1)[C@H](C1CCNCC1)n1c(nc2ccccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C40H37N5O/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31/h1-22,30,38,41H,23-28H2/t38-/m1/s1
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged PDEdelta (unknown origin) expressed in Escherichia coli BL21(DE3)-condon plus-RIL cells after 4 hrs by fluoresce...


Eur J Med Chem 163: 597-609 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.018
More data for this
Ligand-Target Pair