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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'L-selectin' and Ligand = 'BDBM50091500'   
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
L-selectin


(Homo sapiens (Human))		BDBM50091500
PNG
((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O11/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34(29-27-25-23-21-19-17-15-13-11-9-7-5-2)42(55)48-36(44(57)47-35(43(56)46-3)30-31-38(50)51)33-58-45-41(54)40(53)39(52)37(32-49)59-45/h34-37,39-41,45,49,52-54H,4-33H2,1-3H3,(H,46,56)(H,47,57)(H,48,55)(H,50,51)/t35-,36+,37?,39?,40?,41?,45?/m1/s1
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of compound was determined against Selectin L binding by ELISA assay

Bioorg Med Chem Lett 10: 1827-30 (2000)


BindingDB Entry DOI: 10.7270/Q2ZP46M8
More data for this
Ligand-Target Pair