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BDBM289557 8-((Dimethylamino)methyl)-6-(4-methoxybenzyl)-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one::US10092575, Example 45

SMILES: COc1ccc(Cn2c3sc(CN(C)C)c(C)c3c3ncnn3c2=O)cc1

InChI Key: InChIKey=PPVLOQNFNFUCKX-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 289557   
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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM289557
PNG
(8-((Dimethylamino)methyl)-6-(4-methoxybenzyl)-9-me...)
Show SMILES COc1ccc(Cn2c3sc(CN(C)C)c(C)c3c3ncnn3c2=O)cc1
Show InChI InChI=1S/C19H21N5O2S/c1-12-15(10-22(2)3)27-18-16(12)17-20-11-21-24(17)19(25)23(18)9-13-5-7-14(26-4)8-6-13/h5-8,11H,9-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (human))
BDBM289557
PNG
(8-((Dimethylamino)methyl)-6-(4-methoxybenzyl)-9-me...)
Show SMILES COc1ccc(Cn2c3sc(CN(C)C)c(C)c3c3ncnn3c2=O)cc1
Show InChI InChI=1S/C19H21N5O2S/c1-12-15(10-22(2)3)27-18-16(12)17-20-11-21-24(17)19(25)23(18)9-13-5-7-14(26-4)8-6-13/h5-8,11H,9-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<100n/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)

More data for this
Ligand-Target Pair