BindingDB logo
myBDB logout

BDBM329425 (4-(2-methyl-4- (((1S,2S)-2-(quinolin-2- yl)cyclopropyl)methoxy) pyrimidin-5- yl)phenyl)methanol (enantiomer A)::US9663513, 38::US9663513, 39

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

InChI Key: InChIKey=HPPCHEWUPZJEHU-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 = 329425   
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))
BDBM329425
PNG
((4-(2-methyl-4- (((1S,2S)-2-(quinolin-2- yl)cyclop...)
Show SMILES Cc1ncc(-c2ccc(CO)cc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
Show InChI InChI=1S/C25H23N3O2/c1-16-26-13-22(18-8-6-17(14-29)7-9-18)25(27-16)30-15-20-12-21(20)24-11-10-19-4-2-3-5-23(19)28-24/h2-11,13,20-21,29H,12,14-15H2,1H3/t20-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0300n/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))
BDBM329425
PNG
((4-(2-methyl-4- (((1S,2S)-2-(quinolin-2- yl)cyclop...)
Show SMILES Cc1ncc(-c2ccc(CO)cc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1
Show InChI InChI=1S/C25H23N3O2/c1-16-26-13-22(18-8-6-17(14-29)7-9-18)25(27-16)30-15-20-12-21(20)24-11-10-19-4-2-3-5-23(19)28-24/h2-11,13,20-21,29H,12,14-15H2,1H3/t20-,21+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.870n/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