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SMILES: COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2ccc(C)nc2)c(=O)n(C)n1

InChI Key: InChIKey=RQJHWSATPKUMNA-AEFFLSMTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 234769   
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))		BDBM234769
PNG
(US9353104, 64)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2ccc(C)nc2)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C22H25N5O3/c1-14-4-5-15(10-23-14)11-24-20-9-21(26-27(2)22(20)28)30-13-16-8-18(16)19-7-6-17(29-3)12-25-19/h4-7,9-10,12,16,18,24H,8,11,13H2,1-3H3/t16-,18+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 0.0250n/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