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BDBM329580 (1R,4s)-4-(2-methyl-4- (((1S,2R)-2-(quinolin-2- yl)cyclopropyl)methoxy) pyrimidin-5- yl)cyclohexanol::US9663513, 193

SMILES: Cc1ncc([C@@H]2CC[C@H](O)CC2)c(OC[C@H]2C[C@H]2c2ccc3ccccc3n2)n1

InChI Key: InChIKey=VDDPADRBCHDQBU-RSPOEFSDSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329580   
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))
BDBM329580
PNG
((1R,4s)-4-(2-methyl-4- (((1S,2R)-2-(quinolin-2- yl...)
Show SMILES Cc1ncc([C@@H]2CC[C@H](O)CC2)c(OC[C@H]2C[C@H]2c2ccc3ccccc3n2)n1
Show InChI InChI=1S/C24H27N3O2/c1-15-25-13-21(16-6-9-19(28)10-7-16)24(26-15)29-14-18-12-20(18)23-11-8-17-4-2-3-5-22(17)27-23/h2-5,8,11,13,16,18-20,28H,6-7,9-10,12,14H2,1H3/t16-,18-,19+,20-/m1/s1
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PC cid
PC sid
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US Patent
0.0700n/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