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BDBM329528 1-(5-(2-methyl-4- (((1S,2S)-2-(5- methylpyridin-2- yl)cyclopropyl)methoxy) pyrimidin-5-yl)pyridin-2- yl)ethanol::US9663513, 141::US9663513, 148::US9663513, 149

SMILES: CC(O)c1ccc(cn1)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1

InChI Key: InChIKey=OIDDHCKMNIDRIN-QIWLAUOQSA-N

Data: 3 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 3 hits for monomerid = 329528   
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))
BDBM329528
PNG
(1-(5-(2-methyl-4- (((1S,2S)-2-(5- methylpyridin-2-...)
Show SMILES CC(O)c1ccc(cn1)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1
Show InChI InChI=1S/C22H24N4O2/c1-13-4-6-21(24-9-13)18-8-17(18)12-28-22-19(11-23-15(3)26-22)16-5-7-20(14(2)27)25-10-16/h4-7,9-11,14,17-18,27H,8,12H2,1-3H3/t14?,17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM329528
PNG
(1-(5-(2-methyl-4- (((1S,2S)-2-(5- methylpyridin-2-...)
Show SMILES CC(O)c1ccc(cn1)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1
Show InChI InChI=1S/C22H24N4O2/c1-13-4-6-21(24-9-13)18-8-17(18)12-28-22-19(11-23-15(3)26-22)16-5-7-20(14(2)27)25-10-16/h4-7,9-11,14,17-18,27H,8,12H2,1-3H3/t14?,17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.240n/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))
BDBM329528
PNG
(1-(5-(2-methyl-4- (((1S,2S)-2-(5- methylpyridin-2-...)
Show SMILES CC(O)c1ccc(cn1)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc(C)cn1
Show InChI InChI=1S/C22H24N4O2/c1-13-4-6-21(24-9-13)18-8-17(18)12-28-22-19(11-23-15(3)26-22)16-5-7-20(14(2)27)25-10-16/h4-7,9-11,14,17-18,27H,8,12H2,1-3H3/t14?,17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.980n/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