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BDBM148165 US8962612, 74

SMILES: NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cc(F)cc1F

InChI Key: InChIKey=DLSIAYGLZBZDFG-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 148165   
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
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM148165
PNG
(US8962612, 74)
Show SMILES NC(N)=NC(=O)N1Cc2c(ccc(F)c2C2(CC2)C1)-c1c(F)cc(F)cc1F |(6,-1.54,;4.67,-.77,;4.67,.77,;3.33,-1.54,;2,-.77,;2,.77,;.67,-1.54,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-2,-3.08,;-.67,-3.85,;-1.44,-5.18,;.1,-5.18,;.67,-3.08,;-3.33,.77,;-4.67,1.54,;-6,.77,;-4.67,3.08,;-3.33,3.85,;-3.33,5.39,;-2,3.08,;-2,1.54,;-.67,.77,)|
Show InChI InChI=1S/C19H16F4N4O/c20-9-5-13(22)15(14(23)6-9)10-1-2-12(21)16-11(10)7-27(8-19(16)3-4-19)18(28)26-17(24)25/h1-2,5-6H,3-4,7-8H2,(H4,24,25,26,28)
KEGG

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PC sid
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Similars

US Patent
0.880 -12.8n/an/an/an/an/a7.437



Astellas Pharma Inc.

US Patent


Assay Description
A test compound and 150 uM of a DMSO solution of 5-carboxamide tryptamine (5-CT) were added to a 96-well plate at 2 ul/well and suspended in the incu...


US Patent US8962612 (2015)


BindingDB Entry DOI: 10.7270/Q24Q7SQP
More data for this
Ligand-Target Pair