Ki Summary

Reaction Details

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Target

E-selectin

Ligand

BDBM50205370

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_428315 (CHEMBL917093)

IC50

3000±n/a nM

Citation

Kranich, R; Busemann, AS; Bock, D; Schroeter-Maas, S; Beyer, D; Heinemann, B; Meyer, M; Schierhorn, K; Zahlten, R; Wolff, G; Aydt, EM Rational design of novel, potent small molecule pan-selectin antagonists. J Med Chem50:1101-15 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

E-selectin

Name:

E-selectin

Synonyms:

ELAM1 | LYAM2_HUMAN | SELE | Selectin | Selectin E

Type:

PROTEIN

Mol. Mass.:

66642.96

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1438995

Residue:

610

Sequence:

MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLN
SILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREK
DVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNC
TALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVV
ECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCK
AVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIP
VCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDN
EKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQ
WTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHW
SGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESD
GSYQKPSYIL

BDBM50205370

n/a

Name

BDBM50205370

Synonyms:

4-{[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-methyl}-cyclohexanecarboxylic acid | CHEMBL220997

Type

Small organic molecule

Emp. Form.

C15H19NO6

Mol. Mass.

309.3145

SMILES

OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)Cc1cc(O)c(O)c(O)c1 |wU:3.2,wD:6.9,(3.02,-25.63,;3.03,-24.09,;4.37,-23.33,;1.7,-23.32,;.36,-24.08,;-.97,-23.31,;-.97,-21.77,;.37,-21,;1.7,-21.78,;-2.3,-21.01,;-3.63,-21.78,;-3.63,-23.32,;-4.97,-21.01,;-6.3,-21.78,;-6.29,-23.3,;-7.62,-24.08,;-7.61,-25.62,;-8.96,-23.31,;-10.29,-24.08,;-8.96,-21.77,;-10.29,-21,;-7.63,-21,)|

Structure