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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50067552   
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))
BDBM50067552
PNG
(2-[(R)-2-(2-Tetradecyl-hexadecanoylamino)-3-(3,4,5...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)OC
Show InChI InChI=1S/C45H84N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(53)47-37(33-57-45-41(52)40(51)39(50)34(3)58-45)43(54)46-36(44(55)56-4)31-32-38(48)49/h34-37,39-41,45,50-52H,5-33H2,1-4H3,(H,46,54)(H,47,53)(H,48,49)/t34?,36?,37-,39?,40?,41?,45?/m1/s1
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin P binding


J Med Chem 41: 4279-87 (1998)


Article DOI: 10.1021/jm980267x
BindingDB Entry DOI: 10.7270/Q2474BHN
More data for this
Ligand-Target Pair
L-selectin


(Homo sapiens (Human))
BDBM50067552
PNG
(2-[(R)-2-(2-Tetradecyl-hexadecanoylamino)-3-(3,4,5...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)OC
Show InChI InChI=1S/C45H84N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(53)47-37(33-57-45-41(52)40(51)39(50)34(3)58-45)43(54)46-36(44(55)56-4)31-32-38(48)49/h34-37,39-41,45,50-52H,5-33H2,1-4H3,(H,46,54)(H,47,53)(H,48,49)/t34?,36?,37-,39?,40?,41?,45?/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Inhibition of Selectin L binding


J Med Chem 41: 4279-87 (1998)


Article DOI: 10.1021/jm980267x
BindingDB Entry DOI: 10.7270/Q2474BHN
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50067552
PNG
(2-[(R)-2-(2-Tetradecyl-hexadecanoylamino)-3-(3,4,5...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)OC
Show InChI InChI=1S/C45H84N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35(30-28-26-24-22-20-18-16-14-12-10-8-6-2)42(53)47-37(33-57-45-41(52)40(51)39(50)34(3)58-45)43(54)46-36(44(55)56-4)31-32-38(48)49/h34-37,39-41,45,50-52H,5-33H2,1-4H3,(H,46,54)(H,47,53)(H,48,49)/t34?,36?,37-,39?,40?,41?,45?/m1/s1
PDB
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Displacement of sialyl Lewis X (sLex) from selectin E


J Med Chem 41: 4279-87 (1998)


Article DOI: 10.1021/jm980267x
BindingDB Entry DOI: 10.7270/Q2474BHN
More data for this
Ligand-Target Pair