Ki Summary

Reaction Details

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Target

Ectonucleotide pyrophosphatase/phosphodiesterase family member 2

Ligand

BDBM50542076

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1985911 (CHEMBL4619317)

IC50

25±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

BDBM50542076

n/a

Name

BDBM50542076

Synonyms:

CHEMBL4643803

Type

Small organic molecule

Emp. Form.

C27H29F2N3O3

Mol. Mass.

481.5343

SMILES

C[C@@]1(CC[C@H](CC(=O)N2CCc3c(C2)n(Cc2ccc(F)cc2F)c2ncccc32)CC1)C(O)=O |r,wU:4.4,wD:1.36,(23.5,-7.33,;22.75,-8.66,;22.27,-7.2,;20.76,-6.87,;19.74,-8.02,;18.23,-7.71,;17.2,-8.85,;17.68,-10.32,;15.7,-8.53,;15.21,-7.06,;13.69,-6.73,;12.66,-7.89,;13.15,-9.37,;14.66,-9.69,;11.89,-10.27,;11.89,-11.81,;10.55,-12.57,;9.22,-11.8,;7.89,-12.56,;7.89,-14.1,;6.55,-14.87,;9.23,-14.88,;10.56,-14.11,;11.89,-14.87,;10.64,-9.37,;9.14,-9.68,;8.11,-8.54,;8.59,-7.07,;10.1,-6.75,;11.12,-7.9,;20.21,-9.49,;21.71,-9.81,;24.25,-8.99,;25.28,-7.85,;24.72,-10.45,)|

Structure