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BDBM173146 US9096589, (S)-1-[(2-Hydroxy-ethyl)-methyl-amino]-3-{2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-ethyl]-4-thiophen-2-yl-imidazol-1-yl}-propan-2-ol

SMILES: CN(CCO)C[C@H](O)Cn1cc(nc1CCc1nc2cccc(C)n2n1)-c1cccs1

InChI Key: InChIKey=BWQZORUFLRURCV-KRWDZBQOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 173146   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM173146
PNG
(US9096589, (S)-1-[(2-Hydroxy-ethyl)-methyl-amino]-...)
Show SMILES CN(CCO)C[C@H](O)Cn1cc(nc1CCc1nc2cccc(C)n2n1)-c1cccs1
Show InChI InChI=1S/C22H28N6O2S/c1-16-5-3-7-22-24-20(25-28(16)22)8-9-21-23-18(19-6-4-12-31-19)15-27(21)14-17(30)13-26(2)10-11-29/h3-7,12,15,17,29-30H,8-11,13-14H2,1-2H3/t17-/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 16n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US9096589 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TTM
More data for this
Ligand-Target Pair