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SMILES: CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2nn(C)cc2c1

InChI Key: InChIKey=KFTMKTOJVHOBGJ-HSZRJFAPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369915   
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))		BDBM369915
PNG
((R)-2-Fluoro-N-(3-methyl-1-(3-methyl-1-(2-methyl-2...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2nn(C)cc2c1 |r|
Show InChI InChI=1S/C29H30F4N6O4/c1-16(2)23(34-24(40)20-14-18(29(31,32)33)5-7-21(20)30)25(41)38-11-9-28(10-12-38)26(42)37(4)27(43)39(28)19-6-8-22-17(13-19)15-36(3)35-22/h5-8,13-16,23H,9-12H2,1-4H3,(H,34,40)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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