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SMILES: CSc1nc(cc(n1)-n1nc(C)nc1C)[C@@H]1C[C@H]1c1nc2ccccc2n1C

InChI Key: InChIKey=DJVBHQXZCJCVCQ-ZIAGYGMSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194153   
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))		BDBM194153
PNG
(US9200001, 69)
Show SMILES CSc1nc(cc(n1)-n1nc(C)nc1C)[C@@H]1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C20H21N7S/c1-11-21-12(2)27(25-11)18-10-16(23-20(24-18)28-4)13-9-14(13)19-22-15-7-5-6-8-17(15)26(19)3/h5-8,10,13-14H,9H2,1-4H3/t13-,14-/m1/s1
PDB

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PC sid
UniChem

Similars
US Patent
 0.370n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...

US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair