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BDBM292984 US10105367, Example 270::US10376514, Example 270

SMILES: COc1ccc(Cn2c3ncc(cc3c3ncnn3c2=O)C(F)CN2C[C@H](C)O[C@H](C)C2)cc1

InChI Key: InChIKey=CRJRMKHOQXXRGM-GWTOYCKXSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 292984   
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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM292984
PNG
(US10105367, Example 270 | US10376514, Example 270)
Show SMILES COc1ccc(Cn2c3ncc(cc3c3ncnn3c2=O)C(F)CN2C[C@H](C)O[C@H](C)C2)cc1 |r|
Show InChI InChI=1S/C24H27FN6O3/c1-15-10-29(11-16(2)34-15)13-21(25)18-8-20-22(26-9-18)30(24(32)31-23(20)27-14-28-31)12-17-4-6-19(33-3)7-5-17/h4-9,14-16,21H,10-13H2,1-3H3/t15-,16+,21?
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM292984
PNG
(US10105367, Example 270 | US10376514, Example 270)
Show SMILES COc1ccc(Cn2c3ncc(cc3c3ncnn3c2=O)C(F)CN2C[C@H](C)O[C@H](C)C2)cc1 |r|
Show InChI InChI=1S/C24H27FN6O3/c1-15-10-29(11-16(2)34-15)13-21(25)18-8-20-22(26-9-18)30(24(32)31-23(20)27-14-28-31)12-17-4-6-19(33-3)7-5-17/h4-9,14-16,21H,10-13H2,1-3H3/t15-,16+,21?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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)


BindingDB Entry DOI: 10.7270/Q2KW5J3Q
More data for this
Ligand-Target Pair