Ki Summary

Reaction Details

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Target

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligand

BDBM50542075

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1985904 (CHEMBL4619310)

IC50

19±n/a nM

Citation

Iwaki, Y; Ohhata, A; Nakatani, S; Hisaichi, K; Okabe, Y; Hiramatsu, A; Watanabe, T; Yamamoto, S; Nishiyama, T; Kobayashi, J; Hirooka, Y; Moriguchi, H; Maeda, T; Katoh, M; Komichi, Y; Ota, H; Matsumura, N; Okada, M; Sugiyama, T; Saga, H; Imagawa, A ONO-8430506: A Novel Autotaxin Inhibitor That Enhances the Antitumor Effect of Paclitaxel in a Breast Cancer Model. ACS Med Chem Lett11:1335-1341 (2020) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Name:

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Synonyms:

Type:

Enzyme

Mol. Mass.:

99007.13

Organism:

Homo sapiens (Human)

Description:

Q13822

Residue:

863

Sequence:

MARRSSFQSCQIISLFTFAVGVNICLGFTAHRIKRAEGWEEGPPTVLSDSPWTNISGSCK
GRCFELQEAGPPDCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHC
SEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFVRPPLIIFSVDGFRASYMK
KGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDA
TFHLRGREKFNHRWWGGQPLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHER
PSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDH
GMEDVTCDRTEFLSNYLTNVDDITLVPGTLGRIRSKFSNNAKYDPKAIIANLTCKKPDQH
FKPYLKQHLPKRLHYANNRRIEDIHLLVERRWHVARKPLDVYKKPSGKCFFQGDHGFDNK
VNSMQTVFVGYGSTFKYKTKVPPFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRTNTF
RPTMPEEVTRPNYPGIMYLQSDFDLGCTCDDKVEPKNKLDELNKRLHTKGSTEERHLLYG
RPAVLYRTRYDILYHTDFESGYSEIFLMPLWTSYTVSKQAEVSSVPDHLTSCVRPDVRVS
PSFSQNCLAYKNDKQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKRVWNYFQRVL
VKKYASERNGVNVISGPIFDYDYDGLHDTEDKIKQYVEGSSIPVPTHYYSIITSCLDFTQ
PADKCDGPLSVSSFILPHRPDNEESCNSSEDESKWVEELMKMHTARVRDIEHLTSLDFFR
KTSRSYPEILTLKTYLHTYESEI

BDBM50542075

n/a

Name

BDBM50542075

Synonyms:

CHEMBL4634540

Type

Small organic molecule

Emp. Form.

C26H27F2N3O3

Mol. Mass.

467.5077

SMILES

OC(=O)[C@@H]1CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1 |r,wU:6.6,3.2,(29.17,-46.94,;28.14,-48.08,;28.61,-49.55,;26.63,-47.76,;26.16,-46.29,;24.65,-45.97,;23.63,-47.12,;22.12,-46.8,;21.09,-47.95,;21.57,-49.41,;19.59,-47.63,;19.1,-46.15,;17.58,-45.83,;16.55,-46.99,;17.03,-48.47,;18.55,-48.78,;15.78,-49.36,;15.78,-50.9,;14.44,-51.67,;13.11,-50.89,;11.78,-51.66,;11.77,-53.2,;10.44,-53.97,;13.11,-53.97,;14.44,-53.2,;15.78,-53.97,;14.53,-48.46,;13.03,-48.78,;12,-47.64,;12.47,-46.16,;13.99,-45.85,;15.01,-46.99,;24.1,-48.58,;25.6,-48.9,)|

Structure