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BDBM50379983 CHEMBL2012231

SMILES: COc1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F

InChI Key: InChIKey=BCCIICQGSQBPLH-NSHDSACASA-N

Data: 2 IC50

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 2 hits for monomerid = 50379983   
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))
BDBM50379983
PNG
(CHEMBL2012231)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-12-3-6-15(25)16(26)9-12)33-23(36-21)14-4-7-17(35-2)19-13(14)5-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50379983
PNG
(CHEMBL2012231)
Show SMILES COc1ccc(-c2nc(C(=O)NCc3ccc(F)c(F)c3)c(o2)[C@H](C)N)c2ccc(nc12)C(F)(F)F |r|
Show InChI InChI=1S/C24H19F5N4O3/c1-11(30)21-20(22(34)31-10-12-3-6-15(25)16(26)9-12)33-23(36-21)14-4-7-17(35-2)19-13(14)5-8-18(32-19)24(27,28)29/h3-9,11H,10,30H2,1-2H3,(H,31,34)/t11-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 22: 2594-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.115
BindingDB Entry DOI: 10.7270/Q2CN74X0
More data for this
Ligand-Target Pair