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BDBM329470 2,2,2-trifluoro-1-(5-(4- (((1S,2S)-2-(5- methoxypyridin-2- yl)cyclopropyl)methoxy)- 2-methylpyrimidin-5- yl)pyridin-2-yl)ethanol (R or S)::US9663513, 83::US9663513, 84

SMILES: COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccc(nc1)C(O)C(F)(F)F

InChI Key: InChIKey=ONTGSCMTNJSJGN-LUMABBESSA-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 = 329470   
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))
BDBM329470
PNG
(2,2,2-trifluoro-1-(5-(4- (((1S,2S)-2-(5- methoxypy...)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccc(nc1)C(O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3/c1-12-26-10-17(13-3-5-19(27-8-13)20(30)22(23,24)25)21(29-12)32-11-14-7-16(14)18-6-4-15(31-2)9-28-18/h3-6,8-10,14,16,20,30H,7,11H2,1-2H3/t14-,16+,20?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.150n/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))
BDBM329470
PNG
(2,2,2-trifluoro-1-(5-(4- (((1S,2S)-2-(5- methoxypy...)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)ncc1-c1ccc(nc1)C(O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O3/c1-12-26-10-17(13-3-5-19(27-8-13)20(30)22(23,24)25)21(29-12)32-11-14-7-16(14)18-6-4-15(31-2)9-28-18/h3-6,8-10,14,16,20,30H,7,11H2,1-2H3/t14-,16+,20?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.510n/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