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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'achiha' and Initial = 't'   
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/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50060512
PNG
((R)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m1/s1
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n/an/a 300n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50060514
PNG
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1
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n/an/a 300n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50060511
PNG
((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m1/s1
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n/an/a 300n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50422275
PNG
(CHEMBL2303665)
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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n/an/a 420n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50422276
PNG
(CHEMBL2303755)
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-/m0/s1
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n/an/a 450n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50060515
PNG
((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m0/s1
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n/an/a 600n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50422275
PNG
(CHEMBL2303665)
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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n/an/a 680n/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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50060512
PNG
((R)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m1/s1
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n/an/a 700n/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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50060511
PNG
((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m1/s1
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n/an/a 800n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
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 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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50060514
PNG
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1
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n/an/a 1.60E+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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50060515
PNG
((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m0/s1
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n/an/a 1.80E+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
Leukocyte adhesion molecule-1


(Homo sapiens)
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
Selectin E


(Homo sapiens)
BDBM50422276
PNG
(CHEMBL2303755)
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-/m0/s1
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n/an/a 3.50E+3n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50067553
PNG
(CHEMBL133134 | N-Methyl-3-[(R)-2-(2-tetradecyl-hex...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CC(O)=O)C(=O)NC
Show InChI InChI=1S/C44H83N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34(30-28-26-24-22-20-18-16-14-12-10-8-6-2)41(53)47-36(43(55)46-35(31-37(48)49)42(54)45-4)32-56-44-40(52)39(51)38(50)33(3)57-44/h33-36,38-40,44,50-52H,5-32H2,1-4H3,(H,45,54)(H,46,55)(H,47,53)(H,48,49)/t33?,35?,36-,38?,39?,40?,44?/m1/s1
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n/an/a 3.60E+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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50067553
PNG
(CHEMBL133134 | N-Methyl-3-[(R)-2-(2-tetradecyl-hex...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CC(O)=O)C(=O)NC
Show InChI InChI=1S/C44H83N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34(30-28-26-24-22-20-18-16-14-12-10-8-6-2)41(53)47-36(43(55)46-35(31-37(48)49)42(54)45-4)32-56-44-40(52)39(51)38(50)33(3)57-44/h33-36,38-40,44,50-52H,5-32H2,1-4H3,(H,45,54)(H,46,55)(H,47,53)(H,48,49)/t33?,35?,36-,38?,39?,40?,44?/m1/s1
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n/an/a 3.80E+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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50422276
PNG
(CHEMBL2303755)
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-/m0/s1
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n/an/a 4.00E+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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50422275
PNG
(CHEMBL2303665)
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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n/an/a 4.20E+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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50422275
PNG
(CHEMBL2303665)
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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n/an/a 4.40E+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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50067554
PNG
(4-Methylcarbamoyl-4-[(R)-3-(3,4,5-trihydroxy-6-met...)
Show SMILES CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C39H73N3O10/c1-5-7-9-11-13-15-17-19-21-23-29(24-22-20-18-16-14-12-10-8-6-2)36(48)42-31(27-51-39-35(47)34(46)33(45)28(3)52-39)38(50)41-30(37(49)40-4)25-26-32(43)44/h28-31,33-35,39,45-47H,5-27H2,1-4H3,(H,40,49)(H,41,50)(H,42,48)(H,43,44)/t28?,30?,31-,33?,34?,35?,39?/m1/s1
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n/an/a 1.20E+4n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50067554
PNG
(4-Methylcarbamoyl-4-[(R)-3-(3,4,5-trihydroxy-6-met...)
Show SMILES CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C39H73N3O10/c1-5-7-9-11-13-15-17-19-21-23-29(24-22-20-18-16-14-12-10-8-6-2)36(48)42-31(27-51-39-35(47)34(46)33(45)28(3)52-39)38(50)41-30(37(49)40-4)25-26-32(43)44/h28-31,33-35,39,45-47H,5-27H2,1-4H3,(H,40,49)(H,41,50)(H,42,48)(H,43,44)/t28?,30?,31-,33?,34?,35?,39?/m1/s1
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n/an/a 1.50E+4n/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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50408284
PNG
(CHEMBL2029056)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O
Show InChI InChI=1S/C48H92O18S/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)32-60-46-42(56)45(65-47-40(54)39(53)37(51)33(3)61-47)43(36(31-50)63-46)64-48-41(55)44(66-67(57,58)59)38(52)35(30-49)62-48/h33-56H,4-32H2,1-3H3,(H,57,58,59)/p-1/t33-,35+,36+,37+,38-,39+,40-,41+,42+,43+,44-,45+,46+,47-,48-/m0/s1
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n/an/a 3.00E+4n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50067556
PNG
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(=O)OC)C(=O)NC
Show InChI InChI=1S/C46H87N3O10/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-36(31-29-27-25-23-21-19-17-15-13-11-9-7-2)43(54)49-38(34-58-46-42(53)41(52)40(51)35(3)59-46)45(56)48-37(44(55)47-4)32-33-39(50)57-5/h35-38,40-42,46,51-53H,6-34H2,1-5H3,(H,47,55)(H,48,56)(H,49,54)/t35?,37-,38+,40?,41?,42?,46?/m0/s1
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n/an/a 3.70E+4n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50408284
PNG
(CHEMBL2029056)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O
Show InChI InChI=1S/C48H92O18S/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)32-60-46-42(56)45(65-47-40(54)39(53)37(51)33(3)61-47)43(36(31-50)63-46)64-48-41(55)44(66-67(57,58)59)38(52)35(30-49)62-48/h33-56H,4-32H2,1-3H3,(H,57,58,59)/p-1/t33-,35+,36+,37+,38-,39+,40-,41+,42+,43+,44-,45+,46+,47-,48-/m0/s1
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n/an/a 1.00E+5n/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
Selectin E


(Homo sapiens)
BDBM50060514
PNG
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m0/s1
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n/an/a>1.00E+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
Selectin E


(Homo sapiens)
BDBM50060511
PNG
((R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37+,39?,40?,41?,45?/m1/s1
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n/an/a>1.00E+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
Selectin E


(Homo sapiens)
BDBM50067554
PNG
(4-Methylcarbamoyl-4-[(R)-3-(3,4,5-trihydroxy-6-met...)
Show SMILES CCCCCCCCCCCC(CCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C39H73N3O10/c1-5-7-9-11-13-15-17-19-21-23-29(24-22-20-18-16-14-12-10-8-6-2)36(48)42-31(27-51-39-35(47)34(46)33(45)28(3)52-39)38(50)41-30(37(49)40-4)25-26-32(43)44/h28-31,33-35,39,45-47H,5-27H2,1-4H3,(H,40,49)(H,41,50)(H,42,48)(H,43,44)/t28?,30?,31-,33?,34?,35?,39?/m1/s1
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n/an/a 1.60E+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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50067550
PNG
(4-[(R)-2-Hexadecanoylamino-3-(3,4,5-trihydroxy-6-m...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C31H57N3O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(35)33-23(20-43-31-28(40)27(39)26(38)21(2)44-31)30(42)34-22(29(41)32-3)18-19-25(36)37/h21-23,26-28,31,38-40H,4-20H2,1-3H3,(H,32,41)(H,33,35)(H,34,42)(H,36,37)/t21?,22?,23-,26?,27?,28?,31?/m1/s1
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n/an/a 2.00E+5n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50067550
PNG
(4-[(R)-2-Hexadecanoylamino-3-(3,4,5-trihydroxy-6-m...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C31H57N3O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(35)33-23(20-43-31-28(40)27(39)26(38)21(2)44-31)30(42)34-22(29(41)32-3)18-19-25(36)37/h21-23,26-28,31,38-40H,4-20H2,1-3H3,(H,32,41)(H,33,35)(H,34,42)(H,36,37)/t21?,22?,23-,26?,27?,28?,31?/m1/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
The compound was tested for the concentration to inhibit 50% of Selectin P by blocking its activity; range is 250-500


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
Selectin E


(Homo sapiens)
BDBM50408284
PNG
(CHEMBL2029056)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS([O-])(=O)=O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O
Show InChI InChI=1S/C48H92O18S/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)32-60-46-42(56)45(65-47-40(54)39(53)37(51)33(3)61-47)43(36(31-50)63-46)64-48-41(55)44(66-67(57,58)59)38(52)35(30-49)62-48/h33-56H,4-32H2,1-3H3,(H,57,58,59)/p-1/t33-,35+,36+,37+,38-,39+,40-,41+,42+,43+,44-,45+,46+,47-,48-/m0/s1
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n/an/a 2.80E+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
Selectin E


(Homo sapiens)
BDBM50067550
PNG
(4-[(R)-2-Hexadecanoylamino-3-(3,4,5-trihydroxy-6-m...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C31H57N3O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(35)33-23(20-43-31-28(40)27(39)26(38)21(2)44-31)30(42)34-22(29(41)32-3)18-19-25(36)37/h21-23,26-28,31,38-40H,4-20H2,1-3H3,(H,32,41)(H,33,35)(H,34,42)(H,36,37)/t21?,22?,23-,26?,27?,28?,31?/m1/s1
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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
Selectin E


(Homo sapiens)
BDBM50067553
PNG
(CHEMBL133134 | N-Methyl-3-[(R)-2-(2-tetradecyl-hex...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CC(O)=O)C(=O)NC
Show InChI InChI=1S/C44H83N3O10/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34(30-28-26-24-22-20-18-16-14-12-10-8-6-2)41(53)47-36(43(55)46-35(31-37(48)49)42(54)45-4)32-56-44-40(52)39(51)38(50)33(3)57-44/h33-36,38-40,44,50-52H,5-32H2,1-4H3,(H,45,54)(H,46,55)(H,47,53)(H,48,49)/t33?,35?,36-,38?,39?,40?,44?/m1/s1
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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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50067556
PNG
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(=O)OC)C(=O)NC
Show InChI InChI=1S/C46H87N3O10/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-36(31-29-27-25-23-21-19-17-15-13-11-9-7-2)43(54)49-38(34-58-46-42(53)41(52)40(51)35(3)59-46)45(56)48-37(44(55)47-4)32-33-39(50)57-5/h35-38,40-42,46,51-53H,6-34H2,1-5H3,(H,47,55)(H,48,56)(H,49,54)/t35?,37-,38+,40?,41?,42?,46?/m0/s1
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n/an/a>5.00E+5n/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
Selectin E


(Homo sapiens)
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>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
Selectin E


(Homo sapiens)
BDBM50067556
PNG
((S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(=O)OC)C(=O)NC
Show InChI InChI=1S/C46H87N3O10/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-36(31-29-27-25-23-21-19-17-15-13-11-9-7-2)43(54)49-38(34-58-46-42(53)41(52)40(51)35(3)59-46)45(56)48-37(44(55)47-4)32-33-39(50)57-5/h35-38,40-42,46,51-53H,6-34H2,1-5H3,(H,47,55)(H,48,56)(H,49,54)/t35?,37-,38+,40?,41?,42?,46?/m0/s1
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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
Selectin E


(Homo sapiens)
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a 6.00E+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
Selectin E


(Homo sapiens)
BDBM50422275
PNG
(CHEMBL2303665)
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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n/an/a>1.00E+6n/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
P-selectin/P-selectin glycoprotein ligand 1


(Homo sapiens)
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/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
Selectin E


(Homo sapiens)
BDBM50422275
PNG
(CHEMBL2303665)
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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n/an/a>1.00E+6n/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
Leukocyte adhesion molecule-1


(Homo sapiens)
BDBM50450369
PNG
(SIALYL LEWIS X | Sialyl LeX | Sialyl lewis-x | sLe...)
Show SMILES C[C@@H]1O[C@@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C31H52N2O23/c1-9-18(43)21(46)22(47)28(51-9)53-24(12(5-34)32-10(2)38)25(15(42)7-36)54-29-23(48)27(20(45)16(8-37)52-29)56-31(30(49)50)4-13(40)17(33-11(3)39)26(55-31)19(44)14(41)6-35/h5,9,12-29,35-37,40-48H,4,6-8H2,1-3H3,(H,32,38)(H,33,39)(H,49,50)/t9-,12-,13-,14+,15+,16+,17+,18+,19+,20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+6n/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
Selectin E


(Homo sapiens)
BDBM50060515
PNG
((S)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m0/s1
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n/an/a>1.00E+6n/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
Selectin E


(Homo sapiens)
BDBM50060512
PNG
((R)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexad...)
Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Show InChI InChI=1S/C45H85N3O10/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(54)48-37(33-57-45-41(53)40(52)39(51)34(3)58-45)44(56)47-36(43(55)46-4)31-32-38(49)50/h34-37,39-41,45,51-53H,5-33H2,1-4H3,(H,46,55)(H,47,56)(H,48,54)(H,49,50)/t34?,36-,37-,39?,40?,41?,45?/m1/s1
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n/an/a>1.00E+6n/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