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BDBM289626 9-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methyl)-6-(4-methoxybenzyl)-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5 (6H)-one::US10092575, Example 114::US10376514, Example 114

SMILES: COc1ccc(Cn2c3sc4CN(Cc5ccc6OC(F)(F)Oc6c5)CCc4c3c3ncnn3c2=O)cc1

InChI Key: InChIKey=ZXHSPMXDQPMINS-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 289626   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM289626
PNG
(9-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methyl)-6...)
Show SMILES COc1ccc(Cn2c3sc4CN(Cc5ccc6OC(F)(F)Oc6c5)CCc4c3c3ncnn3c2=O)cc1
Show InChI InChI=1S/C26H21F2N5O4S/c1-35-17-5-2-15(3-6-17)12-32-24-22(23-29-14-30-33(23)25(32)34)18-8-9-31(13-21(18)38-24)11-16-4-7-19-20(10-16)37-26(27,28)36-19/h2-7,10,14H,8-9,11-13H2,1H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/a25



Dart NeuroScience (Cayman) Ltd

US Patent


Assay Description
PDE1B inhibition was determined by an IMAP TR-FRET assay. The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or c...


US Patent US10105367 (2018)


BindingDB Entry DOI: 10.7270/Q2KW5J3Q
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM289626
PNG
(9-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methyl)-6...)
Show SMILES COc1ccc(Cn2c3sc4CN(Cc5ccc6OC(F)(F)Oc6c5)CCc4c3c3ncnn3c2=O)cc1
Show InChI InChI=1S/C26H21F2N5O4S/c1-35-17-5-2-15(3-6-17)12-32-24-22(23-29-14-30-33(23)25(32)34)18-8-9-31(13-21(18)38-24)11-16-4-7-19-20(10-16)37-26(27,28)36-19/h2-7,10,14H,8-9,11-13H2,1H3
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PC cid
PC sid
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US Patent
n/an/a 550n/an/an/an/an/an/a



Dart NeuroScience (Cayman) Ltd

US Patent


Assay Description
The selectivity of compounds of the present invention was determined using a panel of recombinant human PDEs and an in vitro enzymatic assay (BPS Bio...


US Patent US10376514 (2019)


BindingDB Entry DOI: 10.7270/Q2ST7S6W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM289626
PNG
(9-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methyl)-6...)
Show SMILES COc1ccc(Cn2c3sc4CN(Cc5ccc6OC(F)(F)Oc6c5)CCc4c3c3ncnn3c2=O)cc1
Show InChI InChI=1S/C26H21F2N5O4S/c1-35-17-5-2-15(3-6-17)12-32-24-22(23-29-14-30-33(23)25(32)34)18-8-9-31(13-21(18)38-24)11-16-4-7-19-20(10-16)37-26(27,28)36-19/h2-7,10,14H,8-9,11-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 550n/an/an/a25



Dart NeuroScience (Cayman) Ltd

US Patent


Assay Description
The IMAP TR-FRET PDE assay was optimized for concentration of enzyme, Calmodulin, cAMP or cGMP substrate, DMSO tolerance, and incubation time. Into e...


US Patent US10092575 (2018)


BindingDB Entry DOI: 10.7270/Q2514181
More data for this
Ligand-Target Pair