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BDBM116309 US8637528, OM69

SMILES: COc1cc(N)ccc1-c1cc2c(C(N=[N+]2C)C2CCCCC2)c(=O)[nH]1

InChI Key: InChIKey=MEQLCCSBIKIYJU-UHFFFAOYSA-O

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 = 116309   
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 7B


(Homo sapiens (Human))
BDBM116309
PNG
(US8637528, OM69)
Show SMILES COc1cc(N)ccc1-c1cc2c(C(N=[N+]2C)C2CCCCC2)c(=O)[nH]1
Show InChI InChI=1S/C20H24N4O2/c1-24-16-11-15(14-9-8-13(21)10-17(14)26-2)22-20(25)18(16)19(23-24)12-6-4-3-5-7-12/h8-12,19H,3-7H2,1-2H3,(H2-,21,22,25)/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.80n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM116309
PNG
(US8637528, OM69)
Show SMILES COc1cc(N)ccc1-c1cc2c(C(N=[N+]2C)C2CCCCC2)c(=O)[nH]1
Show InChI InChI=1S/C20H24N4O2/c1-24-16-11-15(14-9-8-13(21)10-17(14)26-2)22-20(25)18(16)19(23-24)12-6-4-3-5-7-12/h8-12,19H,3-7H2,1-2H3,(H2-,21,22,25)/p+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.30n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair