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BDBM329462 5-(2-ethoxypyridin-4-yl)- 4-(((1S,2S)-2-(5- methoxypyridin-2- yl)cyclopropyl)methoxy)- 2-methylpyrimidine::US9663513, 75

SMILES: CCOc1cc(ccn1)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(OC)cn1

InChI Key: InChIKey=RYLJLKGZQCMLEZ-AEFFLSMTSA-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 = 329462   
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))
BDBM329462
PNG
(5-(2-ethoxypyridin-4-yl)- 4-(((1S,2S)-2-(5- methox...)
Show SMILES CCOc1cc(ccn1)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(OC)cn1
Show InChI InChI=1S/C22H24N4O3/c1-4-28-21-10-15(7-8-23-21)19-12-24-14(2)26-22(19)29-13-16-9-18(16)20-6-5-17(27-3)11-25-20/h5-8,10-12,16,18H,4,9,13H2,1-3H3/t16-,18+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
0.140n/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