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BDBM329419 4-(2-methyl-4- (((1S,2S)-2-(quinolin-2- yl)cyclopropyl)methoxy) pyrimidin-5- yl)benzonitrile (enantiomer A)::US9663513, 32::US9663513, 33

SMILES: Cc1ncc(-c2ccc(cc2)C#N)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1

InChI Key: InChIKey=ICMNUFVDMLODAZ-RTWAWAEBSA-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 = 329419   
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))
BDBM329419
PNG
(4-(2-methyl-4- (((1S,2S)-2-(quinolin-2- yl)cyclopr...)
Show SMILES Cc1ncc(-c2ccc(cc2)C#N)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
Show InChI InChI=1S/C25H20N4O/c1-16-27-14-22(18-8-6-17(13-26)7-9-18)25(28-16)30-15-20-12-21(20)24-11-10-19-4-2-3-5-23(19)29-24/h2-11,14,20-21H,12,15H2,1H3/t20-,21+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0600n/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))
BDBM329419
PNG
(4-(2-methyl-4- (((1S,2S)-2-(quinolin-2- yl)cyclopr...)
Show SMILES Cc1ncc(-c2ccc(cc2)C#N)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
Show InChI InChI=1S/C25H20N4O/c1-16-27-14-22(18-8-6-17(13-26)7-9-18)25(28-16)30-15-20-12-21(20)24-11-10-19-4-2-3-5-23(19)29-24/h2-11,14,20-21H,12,15H2,1H3/t20-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.25n/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