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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'L-selectin' and Ligand = 'BDBM50056133'   
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))		BDBM50056133
PNG
(5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N...)
Show SMILES CC1OC(OC2C(NC(C)=O)[C@@H](O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Show InChI InChI=1S/C31H52N2O23/c1-8-17(41)20(44)21(45)28(50-8)54-25-16(33-10(3)38)27(47)51-14(7-36)23(25)53-29-22(46)26(19(43)13(6-35)52-29)56-31(30(48)49)4-11(39)15(32-9(2)37)24(55-31)18(42)12(40)5-34/h8,11-29,34-36,39-47H,4-7H2,1-3H3,(H,32,37)(H,33,38)(H,48,49)/t8?,11?,12-,13?,14?,15?,16?,17?,18-,19?,20?,21?,22?,23?,24?,25?,26?,27+,28?,29?,31?/m1/s1
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Selectin L expressed in endothelial cells

J Med Chem 40: 362-9 (1997)


Article DOI: 10.1021/jm9606103
BindingDB Entry DOI: 10.7270/Q2QV3KM0
More data for this
Ligand-Target Pair