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SMILES: Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)n(C)n1

InChI Key: InChIKey=LCSVOKXCNIPYNI-HIFRSBDPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 234733   
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))		BDBM234733
PNG
(US9353104, 21)
Show SMILES Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)n(C)n1 |r|
Show InChI InChI=1S/C19H25N7O2/c1-12-7-14(25(3)21-12)10-20-17-9-18(23-26(4)19(17)27)28-11-13-8-15(13)16-5-6-24(2)22-16/h5-7,9,13,15,20H,8,10-11H2,1-4H3/t13-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
 0.0440n/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 US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair