BindingDB logo
myBDB logout

4 similar compounds to monomer 50397086

Compile data set for download or QSAR
Wt: 546.6
BDBM50397078
Wt: 503.6
BDBM50397079
Wt: 449.5
BDBM50397087
Wt: 410.5
BDBM50397091

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50397078,50397079,50397087,50397091   
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
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei His-tagged catalytic domains of TbrPDEB1 expressed in Escherichia coli BL21 assessed as conversion of cAMP to AMP af...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens)
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397091
PNG
(CHEMBL2171657)
Show SMILES COc1ccc(CCOc2cc(ccc2OC)C2=NN(C(C)C)C(=O)C2(C)C)cc1
Show InChI InChI=1S/C24H30N2O4/c1-16(2)26-23(27)24(3,4)22(25-26)18-9-12-20(29-6)21(15-18)30-14-13-17-7-10-19(28-5)11-8-17/h7-12,15-16H,13-14H2,1-6H3
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 830n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase PDEB1


(Leishmania major)
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major recombinant PDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proxim...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397079
PNG
(CHEMBL2171451)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H37N3O4/c1-30(2)28(32-33(29(30)34)24-10-6-4-5-7-11-24)23-14-17-26(35-3)27(20-23)37-19-9-8-18-36-25-15-12-22(21-31)13-16-25/h12-17,20,24H,4-11,18-19H2,1-3H3
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
Class I phosphodiesterase B1 (TbrPDEB1)


(Trypanosoma brucei)
BDBM50397087
PNG
(CHEMBL2171455)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)C1=NN(C(C)C)C(=O)C1(C)C
Show InChI InChI=1S/C26H31N3O4/c1-18(2)29-25(30)26(3,4)24(28-29)20-10-13-22(31-5)23(16-20)33-15-7-6-14-32-21-11-8-19(17-27)9-12-21/h8-13,16,18H,6-7,14-15H2,1-5H3
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p...


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50397078
PNG
(CHEMBL2171452)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay


J Med Chem 55: 8745-56 (2012)


Article DOI: 10.1021/jm301059b
BindingDB Entry DOI: 10.7270/Q2SF2X96
More data for this
Ligand-Target Pair