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BDBM50540029 CHEMBL4648587

SMILES: CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)N(CN(C)C2=O)c1ccccc1

InChI Key: InChIKey=QLSLFTUSJIQJNX-JOCHJYFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50540029   
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))		BDBM50540029
PNG
(CHEMBL4648587)
Show SMILES CC(C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)N(CN(C)C2=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H31FN4O3/c1-18(2)22(28-23(32)19-8-7-9-20(27)16-19)24(33)30-14-12-26(13-15-30)25(34)29(3)17-31(26)21-10-5-4-6-11-21/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,28,32)/t22-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.20n/an/an/an/an/an/a



X-Chem, Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal FLAG-tagged human autotaxin expressed in Freestyle 293 cells using synthetic substrate FS-3 by fluorescence based assay

J Med Chem 63: 7840-7856 (2020)

More data for this
Ligand-Target Pair