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SMILES: Cc1nc(C)n(n1)-c1cc(nc(OCc2nccs2)n1)N1CC(C1)c1nc2ccccc2n1C

InChI Key: InChIKey=MXDSMAKZLMOQFO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 236034   
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))		BDBM236034
PNG
(US9365562, 72)
Show SMILES Cc1nc(C)n(n1)-c1cc(nc(OCc2nccs2)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H23N9OS/c1-14-25-15(2)32(29-14)20-10-19(27-23(28-20)33-13-21-24-8-9-34-21)31-11-16(12-31)22-26-17-6-4-5-7-18(17)30(22)3/h4-10,16H,11-13H2,1-3H3
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