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BDBM236019 US9365562, 57

SMILES: Cc1nc(Cc2cc(F)ccc2F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C

InChI Key: InChIKey=BTLSKORSWWANTC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 236019   
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
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM236019
PNG
(US9365562, 57)
Show SMILES Cc1nc(Cc2cc(F)ccc2F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C26H24F2N8/c1-15-29-23(35-13-18(14-35)26-32-21-6-4-5-7-22(21)34(26)3)12-25(30-15)36-24(31-16(2)33-36)11-17-10-19(27)8-9-20(17)28/h4-10,12,18H,11,13-14H2,1-3H3
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0650 -13.9n/an/an/an/an/a7.225



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, S...


US Patent US9365562 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7NQZ
More data for this
Ligand-Target Pair