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BDBM135583 US8846654, 251

SMILES: COc1cc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(CF)CF)cc3c2=O)ccc1OCC(=O)N1CCCCC1

InChI Key: InChIKey=BBHYMAIPZZCFDD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 135583   
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
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM135583
PNG
(US8846654, 251)
Show SMILES COc1cc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(CF)CF)cc3c2=O)ccc1OCC(=O)N1CCCCC1
Show InChI InChI=1S/C32H38F2N4O7/c1-43-29-15-22(5-8-28(29)44-20-30(40)36-11-3-2-4-12-36)19-37-31(41)26-16-24(45-25(17-33)18-34)6-7-27(26)38(32(37)42)23-9-13-35(21-39)14-10-23/h5-8,15-16,21,23,25H,2-4,9-14,17-20H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 390n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
By using for PDE8 an enzymatic assay equivalent to that described for PDE7. PDE7 Enzymatic Assay: The assay is carried out in 1.5 ml Eppendorf tube...


US Patent US8846654 (2014)


BindingDB Entry DOI: 10.7270/Q21V5CPZ
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM135583
PNG
(US8846654, 251)
Show SMILES COc1cc(Cn2c(=O)n(C3CCN(CC3)C=O)c3ccc(OC(CF)CF)cc3c2=O)ccc1OCC(=O)N1CCCCC1
Show InChI InChI=1S/C32H38F2N4O7/c1-43-29-15-22(5-8-28(29)44-20-30(40)36-11-3-2-4-12-36)19-37-31(41)26-16-24(45-25(17-33)18-34)6-7-27(26)38(32(37)42)23-9-13-35(21-39)14-10-23/h5-8,15-16,21,23,25H,2-4,9-14,17-20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 46n/an/an/an/a7.5n/a



Sanofi

US Patent


Assay Description
The assay is carried out in 1.5 ml Eppendorf tubes comprising 40 mM of Tris-HCl (pH 7.5), 15 mM of MgCl2, 1 mM of EGTA, 0.5 mg/ml of bovine serum alb...


US Patent US8846654 (2014)


BindingDB Entry DOI: 10.7270/Q21V5CPZ
More data for this
Ligand-Target Pair