BindingDB logo
myBDB logout

BDBM289666 8-(3-Chlorobenzyl)-6-(3,4-dimethoxybenzyl)-8,9,10,11-tetrahydropyrido[3',2':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one::US10092575, Example 155::US10376514, Example 155

SMILES: COc1ccc(Cn2c3sc4N(Cc5cccc(Cl)c5)CCCc4c3c3ncnn3c2=O)cc1OC

InChI Key: InChIKey=IJPNTJFSFUIZOQ-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 289666   
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))
BDBM289666
PNG
(8-(3-Chlorobenzyl)-6-(3,4-dimethoxybenzyl)-8,9,10,...)
Show SMILES COc1ccc(Cn2c3sc4N(Cc5cccc(Cl)c5)CCCc4c3c3ncnn3c2=O)cc1OC
Show InChI InChI=1S/C26H24ClN5O3S/c1-34-20-9-8-17(12-21(20)35-2)14-31-25-22(23-28-15-29-32(23)26(31)33)19-7-4-10-30(24(19)36-25)13-16-5-3-6-18(27)11-16/h3,5-6,8-9,11-12,15H,4,7,10,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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))
BDBM289666
PNG
(8-(3-Chlorobenzyl)-6-(3,4-dimethoxybenzyl)-8,9,10,...)
Show SMILES COc1ccc(Cn2c3sc4N(Cc5cccc(Cl)c5)CCCc4c3c3ncnn3c2=O)cc1OC
Show InChI InChI=1S/C26H24ClN5O3S/c1-34-20-9-8-17(12-21(20)35-2)14-31-25-22(23-28-15-29-32(23)26(31)33)19-7-4-10-30(24(19)36-25)13-16-5-3-6-18(27)11-16/h3,5-6,8-9,11-12,15H,4,7,10,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/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))
BDBM289666
PNG
(8-(3-Chlorobenzyl)-6-(3,4-dimethoxybenzyl)-8,9,10,...)
Show SMILES COc1ccc(Cn2c3sc4N(Cc5cccc(Cl)c5)CCCc4c3c3ncnn3c2=O)cc1OC
Show InChI InChI=1S/C26H24ClN5O3S/c1-34-20-9-8-17(12-21(20)35-2)14-31-25-22(23-28-15-29-32(23)26(31)33)19-7-4-10-30(24(19)36-25)13-16-5-3-6-18(27)11-16/h3,5-6,8-9,11-12,15H,4,7,10,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.50E+3n/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