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Target
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Ligand
BDBM50187686
Substrate
n/a
Meas. Tech.
ChEMBL_1700909 (CHEMBL4051891)
IC50
542±n/a nM
Citation
 Desroy, N; Housseman, C; Bock, X; Joncour, A; Bienvenu, N; Cherel, L; Labeguere, V; Rondet, E; Peixoto, C; Grassot, JM; Picolet, O; Annoot, D; Triballeau, N; Monjardet, A; Wakselman, E; Roncoroni, V; Le Tallec, S; Blanque, R; Cottereaux, C; Vandervoort, N; Christophe, T; Mollat, P; Lamers, M; Auberval, M; Hrvacic, B; Ralic, J; Oste, L; van der Aar, E; Brys, R; Heckmann, B Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fib J Med Chem 60:3580-3590 (2017) [PubMed]  Article 
Target
Name:
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Synonyms:
3.1.4.39 | Atx | Autotaxin | E-NPP 2 | ENPP2_RAT | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | Enpp2 | Extracellular lysophospholipase D | LysoPLD | Npps2
Type:
PROTEIN
Mol. Mass.:
101590.86
Organism:
Rattus norvegicus
Description:
ChEMBL_116829
Residue:
887
Sequence:
MARQGCLGSFQVISLFTFAISVNICLGFTASRIKRAEWDEGPPTVLSDSPWTNTSGSCKGRCFELQEVGPPDCRCDNLCKSYSSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLSRGDCCTNYQVVCKGESHWVDDDCEEIKVPECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHAPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDASFHLRGREKFNHRWWGGQPLWITATKQGVRAGTFFWSVSIPHERRILTILQWLSLPDNERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKTVGQLMDGLKQLRLHRCVNVIFVGDHGMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRAKSINNSKYDPKTIIANLTCKKPDQHFKPYMKQHLPKRLHYANNRRIEDIHLLVDRRWHVARKPLDVYKKPSGKCFFQGDHGFDNKVNSMQTVFVGYGPTFKYRTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTFRPTMPDEVSRPNYPGIMYLQSEFDLGCTCDDKVEPKNKLEELNKRLHTKGSTEAETGKFRGSKHENKKNLNGSVEPRKERHLLYGRPAVLYRTSYDILYHTDFESGYSEIFLMPLWTSYTISKQAEVSSIPEHLTNCVRPDVRVSPGFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWAYFQRVLVKKYASERNGVNVISGPIFDYNYDGLRDTEDEIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNDESCNSSEDESKWVEELMKMHTARVRDIEHLTGLDFYRKTSRSYSEILTLKTYLHTYESEI
  
Inhibitor
Name:
BDBM50187686
Synonyms:
CHEMBL3828074 | US10526329, Compound 2 | US11072611, Compound 2 | US11104665, WO2014/139882 Example 2 | US11591342, Compound GLPG1690 | US20230295159, Example GLPG1690 | US9670204, 2 2-((2-ethyl-6-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)-8-methylimidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile | WO2014139882, Compound 2
Type:
Small organic molecule
Emp. Form.:
C30H33FN8O2S
Mol. Mass.:
588.699
SMILES:
CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
Structure:
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