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BDBM354912 1-Methylcyclopropanamine Oxalate::US9815796, Example 3

SMILES: COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)NC2(CC2)c2ccc(cc2)C(F)(F)F)cc1OC

InChI Key: InChIKey=RULZPHGWLAEJQG-UHFFFAOYSA-N

Data: 2 KI

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 = 354912   
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
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM354912
PNG
(1-Methylcyclopropanamine Oxalate | US9815796, Exam...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)NC2(CC2)c2ccc(cc2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C24H22F3N3O4/c1-33-18-8-3-14(11-19(18)34-2)12-20-28-17(13-21(31)29-20)22(32)30-23(9-10-23)15-4-6-16(7-5-15)24(25,26)27/h3-8,11,13H,9-10,12H2,1-2H3,(H,30,32)(H,28,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM354912
PNG
(1-Methylcyclopropanamine Oxalate | US9815796, Exam...)
Show SMILES COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)NC2(CC2)c2ccc(cc2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C24H22F3N3O4/c1-33-18-8-3-14(11-19(18)34-2)12-20-28-17(13-21(31)29-20)22(32)30-23(9-10-23)15-4-6-16(7-5-15)24(25,26)27/h3-8,11,13H,9-10,12H2,1-2H3,(H,30,32)(H,28,29,31)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.540n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.; MSD R & D (China) Co. LTD.

US Patent


Assay Description
In a typical experiment the PDE2 inhibitory activity of the compounds of the present invention was determined in accordance with the following experi...


US Patent US9815796 (2017)


BindingDB Entry DOI: 10.7270/Q2V69MQQ
More data for this
Ligand-Target Pair