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BDBM150196 US8980905, 103::US9637499, Compound 103

SMILES: FC(F)Oc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2OCC3(CCOCC3)COc12

InChI Key: InChIKey=UXBXTVKJSUFNGD-UHFFFAOYSA-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 = 150196   
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
Phosphodiesterase 4A


(Homo sapiens (Human))
BDBM150196
PNG
(US8980905, 103 | US9637499, Compound 103)
Show SMILES FC(F)Oc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2OCC3(CCOCC3)COc12
Show InChI InChI=1S/C21H19Cl2F2NO5/c22-14-8-26-9-15(23)13(14)7-16(27)12-1-2-17(31-20(24)25)19-18(12)29-10-21(11-30-19)3-5-28-6-4-21/h1-2,8-9,20H,3-7,10-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 6n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Genbank accession no NM_006203) was incubated for 1 hour, with the test compound at concentrations up to 10 μM, with cAM...


US Patent US9637499 (2017)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q20R9RHF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM150196
PNG
(US8980905, 103 | US9637499, Compound 103)
Show SMILES FC(F)Oc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2OCC3(CCOCC3)COc12
Show InChI InChI=1S/C21H19Cl2F2NO5/c22-14-8-26-9-15(23)13(14)7-16(27)12-1-2-17(31-20(24)25)19-18(12)29-10-21(11-30-19)3-5-28-6-4-21/h1-2,8-9,20H,3-7,10-11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Genbank accession no NM006203) was incubated for 1 hour, with the test compound at concentrations up to 10 μM, with cAMP...


US Patent US8980905 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BH4
More data for this
Ligand-Target Pair