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SMILES: Cc1nc(C)n(n1)-c1cc(nc(n1)C#N)[C@@H]1C[C@H]1c1nc2ccccc2n1C

InChI Key: InChIKey=MDYSTXWIXMTVTI-ZIAGYGMSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194145   
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))		BDBM194145
PNG
(US9200001, 61)
Show SMILES Cc1nc(C)n(n1)-c1cc(nc(n1)C#N)[C@@H]1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C20H18N8/c1-11-22-12(2)28(26-11)19-9-16(23-18(10-21)25-19)13-8-14(13)20-24-15-6-4-5-7-17(15)27(20)3/h4-7,9,13-14H,8H2,1-3H3/t13-,14-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
US Patent
 0.0850n/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