BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50288839'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
E-selectin


(Homo sapiens (Human))		BDBM50288839
PNG
(CHEMBL264987 | CHEMBL3215419 | Sialyl-LewisX Conju...)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCCO[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3NC(C)=O)[C@@]1([H])NC(=O)N2
Show InChI InChI=1S/C47H79N5O25S/c1-19-32(61)35(64)36(65)43(71-19)75-40-31(50-21(3)57)42(70-13-9-5-4-8-12-48-28(60)11-7-6-10-27-29-22(18-78-27)51-46(69)52-29)73-26(17-55)38(40)74-44-37(66)41(34(63)25(16-54)72-44)77-47(45(67)68)14-23(58)30(49-20(2)56)39(76-47)33(62)24(59)15-53/h19,22-27,29-44,53-55,58-59,61-66H,4-18H2,1-3H3,(H,48,60)(H,49,56)(H,50,57)(H,67,68)(H2,51,52,69)/t19?,22-,23?,24+,25?,26?,27?,29-,30?,31?,32?,33+,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,47?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 5.90E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells

Bioorg Med Chem Lett 6: 509-514 (1996)


Article DOI: 10.1016/0960-894X(96)00057-1
BindingDB Entry DOI: 10.7270/Q27944P1
More data for this
Ligand-Target Pair