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SMILES: Cn1ccc(n1)[C@H]1C[C@@H]1COc1cc(Br)c(=O)n(C)n1

InChI Key: InChIKey=OMQZSMZKTPAVRC-BDAKNGLRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 234713   
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))		BDBM234713
PNG
(US9353104, 1)
Show SMILES Cn1ccc(n1)[C@H]1C[C@@H]1COc1cc(Br)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C13H15BrN4O2/c1-17-4-3-11(15-17)9-5-8(9)7-20-12-6-10(14)13(19)18(2)16-12/h3-4,6,8-9H,5,7H2,1-2H3/t8-,9+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 0.0130n/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