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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-selectin' and Ligand = 'BDBM50091501'   
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
P-selectin


(Homo sapiens (Human))		BDBM50091501
PNG
(3-[(2S,5R)-3,6-Dioxo-7-(2-tetradecyl-hexadecyl)-5-...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CN1CCCS[C@@H](CCC(O)=O)C(=O)N[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1=O
Show InChI InChI=1S/C47H88N2O10S/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-37(29-26-24-22-20-18-16-14-12-10-8-6-4-2)34-49-32-27-33-60-40(30-31-41(51)52)45(56)48-38(46(49)57)36-58-47-44(55)43(54)42(53)39(35-50)59-47/h37-40,42-44,47,50,53-55H,3-36H2,1-2H3,(H,48,56)(H,51,52)/t38-,39?,40+,42?,43?,44?,47?/m1/s1
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n/an/a 2.57E+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 P 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