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BDBM329469 4-(((1S,2S)-2-(5- methoxypyridin-2- yl)cyclopropyl)methoxy)- 2-methyl-5-(1-methyl-3- (trifluoromethyl)-1H- pyrazol-4-yl)pyrimidine::US9663513, 82

SMILES: COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cn(C)nc1C(F)(F)F

InChI Key: InChIKey=STSFWOKIQGBQTJ-OCCSQVGLSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329469   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM329469
PNG
(4-(((1S,2S)-2-(5- methoxypyridin-2- yl)cyclopropyl...)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1cn(C)nc1C(F)(F)F
Show InChI InChI=1S/C20H20F3N5O2/c1-11-24-8-15(16-9-28(2)27-18(16)20(21,22)23)19(26-11)30-10-12-6-14(12)17-5-4-13(29-3)7-25-17/h4-5,7-9,12,14H,6,10H2,1-3H3/t12-,14+/m1/s1
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MMDB

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PC cid
PC sid
UniChem
US Patent
0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...


US Patent US9663513 (2017)

More data for this
Ligand-Target Pair