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BDBM329413 2-((1S,2S)-2-((2- methyl-5-(pyridin-4- yl)pyrimidin-4-yloxy) methyl)cyclopropyl) quinoline (enantiomer A)::US9663513, 26::US9663513, 27

SMILES: Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1ccncc1

InChI Key: InChIKey=FFEFOZHZGCFYEQ-MOPGFXCFSA-N

Data: 2 KI

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 = 329413   
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))
BDBM329413
PNG
(2-((1S,2S)-2-((2- methyl-5-(pyridin-4- yl)pyrimidi...)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1ccncc1
Show InChI InChI=1S/C23H20N4O/c1-15-25-13-20(16-8-10-24-11-9-16)23(26-15)28-14-18-12-19(18)22-7-6-17-4-2-3-5-21(17)27-22/h2-11,13,18-19H,12,14H2,1H3/t18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0200n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM329413
PNG
(2-((1S,2S)-2-((2- methyl-5-(pyridin-4- yl)pyrimidi...)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1ccncc1
Show InChI InChI=1S/C23H20N4O/c1-15-25-13-20(16-8-10-24-11-9-16)23(26-15)28-14-18-12-19(18)22-7-6-17-4-2-3-5-21(17)27-22/h2-11,13,18-19H,12,14H2,1H3/t18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.930n/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