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SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)C#CC(N)=O

InChI Key: InChIKey=KIILUOSGHLGYRG-DLBZAZTESA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50512753   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50512753
PNG
(CHEMBL4463356)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)C#CC(N)=O |r,c:3,9|
Show InChI InChI=1S/C21H23N3O3/c1-13(2)24-21(26)17-7-5-4-6-16(17)20(23-24)15-8-10-18(27-3)14(12-15)9-11-19(22)25/h4-5,8,10,12-13,16-17H,6-7H2,1-3H3,(H2,22,25)/t16-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B catalytic domain using cAMP as substrate incubated for 20 mins by PDELight HTS cAMP phosphodiesterase Kit based luminometry


Bioorg Med Chem 27: 4013-4029 (2019)


Article DOI: 10.1016/j.bmc.2019.06.026
More data for this
Ligand-Target Pair
Phosphodiesterase


(Trypanosoma brucei)
BDBM50512753
PNG
(CHEMBL4463356)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)C#CC(N)=O |r,c:3,9|
Show InChI InChI=1S/C21H23N3O3/c1-13(2)24-21(26)17-7-5-4-6-16(17)20(23-24)15-8-10-18(27-3)14(12-15)9-11-19(22)25/h4-5,8,10,12-13,16-17H,6-7H2,1-3H3,(H2,22,25)/t16-,17+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
501n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei PDEB1 catalytic domain using cAMP as substrate incubated for 20 mins by PDELight HTS cAMP phosphodiesterase Kit base...


Bioorg Med Chem 27: 4013-4029 (2019)


Article DOI: 10.1016/j.bmc.2019.06.026
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50512753
PNG
(CHEMBL4463356)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)C#CC(N)=O |r,c:3,9|
Show InChI InChI=1S/C21H23N3O3/c1-13(2)24-21(26)17-7-5-4-6-16(17)20(23-24)15-8-10-18(27-3)14(12-15)9-11-19(22)25/h4-5,8,10,12-13,16-17H,6-7H2,1-3H3,(H2,22,25)/t16-,17+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 251n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to human PDE4D assessed as dissociation constant treated for 60 secs measured for 300 secs by SPR assay


Bioorg Med Chem 27: 4013-4029 (2019)


Article DOI: 10.1016/j.bmc.2019.06.026
More data for this
Ligand-Target Pair
Phosphodiesterase


(Trypanosoma brucei)
BDBM50512753
PNG
(CHEMBL4463356)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)C#CC(N)=O |r,c:3,9|
Show InChI InChI=1S/C21H23N3O3/c1-13(2)24-21(26)17-7-5-4-6-16(17)20(23-24)15-8-10-18(27-3)14(12-15)9-11-19(22)25/h4-5,8,10,12-13,16-17H,6-7H2,1-3H3,(H2,22,25)/t16-,17+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 794n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to Trypanosoma brucei PDEB1 assessed as dissociation constant treated for 60 secs measured for 300 secs by SPR assay


Bioorg Med Chem 27: 4013-4029 (2019)


Article DOI: 10.1016/j.bmc.2019.06.026
More data for this
Ligand-Target Pair