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SMILES: Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)s1

InChI Key: InChIKey=KYYJXAAGLDUPIF-CABCVRRESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 234743   
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))		BDBM234743
PNG
(US9353104, 31)
Show SMILES Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)s1 |r|
Show InChI InChI=1S/C20H23N5O2S/c1-12-4-5-16(21-8-12)15-6-14(15)11-27-18-7-17(20(26)25(3)24-18)22-10-19-23-9-13(2)28-19/h4-5,7-9,14-15,22H,6,10-11H2,1-3H3/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
 0.00700n/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