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SMILES: COc1cccc(F)c1-c1ncc(F)c2ccc(cc12)C(=O)N=C(N)N

InChI Key: InChIKey=QXLNHVUUUVGLBQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 135787   
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))		BDBM135787
PNG
(US8853242, 159)
Show SMILES COc1cccc(F)c1-c1ncc(F)c2ccc(cc12)C(=O)N=C(N)N |(-5.08,-2.13,;-5.85,-.8,;-5.08,.53,;-5.78,2,;-5,3.33,;-3.47,3.33,;-2.69,2,;-1.15,2,;-3.47,.67,;-2.69,-.67,;-3.47,-2,;-2.69,-3.33,;-1.15,-3.33,;-.38,-4.67,;-.38,-2,;1.15,-2,;1.92,-.67,;1.15,.67,;-.38,.67,;-1.15,-.67,;1.92,2,;1.15,3.33,;3.47,2,;4.23,3.33,;5.78,3.33,;3.47,4.67,)|
Show InChI InChI=1S/C18H14F2N4O2/c1-26-14-4-2-3-12(19)15(14)16-11-7-9(17(25)24-18(21)22)5-6-10(11)13(20)8-23-16/h2-8H,1H3,(H4,21,22,24,25)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
 7.10 -11.1n/an/an/an/an/a7.525



Astellas Pharma Inc.

US Patent


Assay Description
A solution of the compound to be tested and 100 μM 5-CT (5-carboxamidetriptamine) in DMSO was added to a 96-well plate at 2 μl/well, suspen...

US Patent US8853242 (2014)


BindingDB Entry DOI: 10.7270/Q2NP2346
More data for this
Ligand-Target Pair