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BDBM292716 1-(2-Chloro-5-(cyclobutylmethoxy)phenyl)-8-methoxy-3-methyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-4(5H)-one::US10105349, Example 22::US10543194, Example 22

SMILES: COc1ccc2[nH]c(=O)c3c(C)nn(-c4cc(OCC5CCC5)ccc4Cl)c3c2n1

InChI Key: InChIKey=VUEUDNPMQRTDEC-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 = 292716   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM292716
PNG
(1-(2-Chloro-5-(cyclobutylmethoxy)phenyl)-8-methoxy...)
Show SMILES COc1ccc2[nH]c(=O)c3c(C)nn(-c4cc(OCC5CCC5)ccc4Cl)c3c2n1
Show InChI InChI=1S/C22H21ClN4O3/c1-12-19-21(20-16(24-22(19)28)8-9-18(25-20)29-2)27(26-12)17-10-14(6-7-15(17)23)30-11-13-4-3-5-13/h6-10,13H,3-5,11H2,1-2H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.90n/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
r-hPDE2A (Accession No. NM_002599, Homo sapiens phosphodiesterase 2A, cGMP-stimulated, transcript variant 1) A mammalian expression cloning vector wi...


US Patent US10543194 (2020)


BindingDB Entry DOI: 10.7270/Q2F47RJZ
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM292716
PNG
(1-(2-Chloro-5-(cyclobutylmethoxy)phenyl)-8-methoxy...)
Show SMILES COc1ccc2[nH]c(=O)c3c(C)nn(-c4cc(OCC5CCC5)ccc4Cl)c3c2n1
Show InChI InChI=1S/C22H21ClN4O3/c1-12-19-21(20-16(24-22(19)28)8-9-18(25-20)29-2)27(26-12)17-10-14(6-7-15(17)23)30-11-13-4-3-5-13/h6-10,13H,3-5,11H2,1-2H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.90n/an/an/an/a7.225



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Assay: PDE2A is assayed with FL-cAMP as substrate. An enzyme titration is first performed to determine the working concentration of PDE. The concentr...


US Patent US10105349 (2018)


BindingDB Entry DOI: 10.7270/Q2QN68T1
More data for this
Ligand-Target Pair