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SMILES: CCc1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C

InChI Key: InChIKey=ZDUZDTUVQBCOOL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 236029   
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
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM236029
PNG
(US9365562, 67)
Show SMILES CCc1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8/c1-4-16-25-12(2)29-32(16)18-9-17(27-20(28-18)21(22,23)24)31-10-13(11-31)19-26-14-7-5-6-8-15(14)30(19)3/h5-9,13H,4,10-11H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.280 -13.0n/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