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SMILES: COc1ccc(cc1F)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C

InChI Key: InChIKey=GCJWXMQHKZMFQY-JOCHJYFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 369910   
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))		BDBM369910
PNG
((R)-2-Fluoro-N-(1-(1-(3-fluoro-4-methoxyphenyl)-3-...)
Show SMILES COc1ccc(cc1F)N1C(=O)N(C)C(=O)C11CCN(CC1)C(=O)[C@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C28H29F5N4O5/c1-15(2)22(34-23(38)18-13-16(28(31,32)33)5-7-19(18)29)24(39)36-11-9-27(10-12-36)25(40)35(3)26(41)37(27)17-6-8-21(42-4)20(30)14-17/h5-8,13-15,22H,9-12H2,1-4H3,(H,34,38)/t22-/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