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BDBM329609 5-(4-(1H-tetrazol-5- yl)phenyl)-4-(((1S,2S)-2- (5-methoxypyridin-2- yl)cyclopropyl)methoxy)- 2-methylpyrimidine::US9663513, 222

SMILES: COc1ccc(nc1)[C@H]1CC1COc1nc(C)ncc1-c1ccc(cc1)-c1nn[nH]n1

InChI Key: InChIKey=GDXSSJRGZGQZNN-DAFXYXGESA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329609   
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))
BDBM329609
PNG
(5-(4-(1H-tetrazol-5- yl)phenyl)-4-(((1S,2S)-2- (5-...)
Show SMILES COc1ccc(nc1)[C@H]1CC1COc1nc(C)ncc1-c1ccc(cc1)-c1nn[nH]n1
Show InChI InChI=1S/C22H21N7O2/c1-13-23-11-19(14-3-5-15(6-4-14)21-26-28-29-27-21)22(25-13)31-12-16-9-18(16)20-8-7-17(30-2)10-24-20/h3-8,10-11,16,18H,9,12H2,1-2H3,(H,26,27,28,29)/t16?,18-/m0/s1
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PC cid
PC sid
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US Patent
0.100n/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