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BDBM289570 (S)-6-(4-Methoxybenzyl)-8-((2-(methoxymethyl)pyrrolidin-1-yl)methyl)-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one::US10092575, Example 58

SMILES: COC[C@@H]1CCCN1Cc1sc2n(Cc3ccc(OC)cc3)c(=O)n3ncnc3c2c1C

InChI Key: InChIKey=XCWKALHWBDBIKK-KRWDZBQOSA-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 = 289570   
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))
BDBM289570
PNG
((S)-6-(4-Methoxybenzyl)-8-((2-(methoxymethyl)pyrro...)
Show SMILES COC[C@@H]1CCCN1Cc1sc2n(Cc3ccc(OC)cc3)c(=O)n3ncnc3c2c1C
Show InChI InChI=1S/C23H27N5O3S/c1-15-19(12-26-10-4-5-17(26)13-30-2)32-22-20(15)21-24-14-25-28(21)23(29)27(22)11-16-6-8-18(31-3)9-7-16/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m0/s1
PDB
MMDB

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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))
BDBM289570
PNG
((S)-6-(4-Methoxybenzyl)-8-((2-(methoxymethyl)pyrro...)
Show SMILES COC[C@@H]1CCCN1Cc1sc2n(Cc3ccc(OC)cc3)c(=O)n3ncnc3c2c1C
Show InChI InChI=1S/C23H27N5O3S/c1-15-19(12-26-10-4-5-17(26)13-30-2)32-22-20(15)21-24-14-25-28(21)23(29)27(22)11-16-6-8-18(31-3)9-7-16/h6-9,14,17H,4-5,10-13H2,1-3H3/t17-/m0/s1
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