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BDBM369906 2-Fluoro-3-methyl-N-((2R,3R)-3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentan-2-yl)benzamide::US10233182, Example 4

SMILES: CC[C@@H](C)[C@@H](NC(=O)c1cccc(C)c1F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1

InChI Key: InChIKey=OMGUNRUFPYKNOG-WZONZLPQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369906   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))		BDBM369906
PNG
(2-Fluoro-3-methyl-N-((2R,3R)-3-methyl-1-(3-methyl-...)
Show SMILES CC[C@@H](C)[C@@H](NC(=O)c1cccc(C)c1F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H33FN4O4/c1-5-18(2)23(30-24(34)21-13-9-10-19(3)22(21)29)25(35)32-16-14-28(15-17-32)26(36)31(4)27(37)33(28)20-11-7-6-8-12-20/h6-13,18,23H,5,14-17H2,1-4H3,(H,30,34)/t18-,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Merck Serono



Assay Description
The efficacy of the Examples described herein, as inhibitors of ATX are demonstrated and confirmed by pharmacological in vitro assays. The following ...

J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2QF8W5N
More data for this
Ligand-Target Pair