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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50288309'   
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))		BDBM50288309
PNG
((S)-2-{2-[(2S,3R)-2-{[(2R,4S)-1-(4-Carboxy-butyryl...)
Show SMILES CCCCCCCCCCCCCCCCOC(=O)CC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)CCCC(O)=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O)C(=O)OCCCCCCCCCCCCCCCC
Show InChI InChI=1S/C59H106N4O16/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-76-51(69)37-36-46(58(75)77-39-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)61-48(65)41-60-57(74)52(43(3)78-59-55(72)54(71)53(70)44(4)79-59)62-56(73)47-40-45(64)42-63(47)49(66)34-33-35-50(67)68/h43-47,52-55,59,64,70-72H,5-42H2,1-4H3,(H,60,74)(H,61,65)(H,62,73)(H,67,68)/t43-,44+,45+,46+,47-,52+,53-,54?,55?,59-/m1/s1
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MMDB

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Similars
Article
n/an/a 5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Selectin E

Bioorg Med Chem Lett 6: 2755-2760 (1996)


Article DOI: 10.1016/S0960-894X(96)00509-4
BindingDB Entry DOI: 10.7270/Q2CV4J8C
More data for this
Ligand-Target Pair