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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Leukocyte adhesion molecule-1' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Leukocyte adhesion molecule-1


(Mus musculus)
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 6.00E+3n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using seletin-IgG chimeras in a Selectin L competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
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 9.40E+3n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using seletin-IgG chimeras in a Selectin L competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
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+4n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using seletin-IgG chimeras in a Selectin L competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
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
Blocking activity using seletin-IgG chimeras in a Selectin L competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
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 3.90E+4n/an/an/an/an/an/a



Kanebo

Curated by ChEMBL


Assay Description
Blocking activity using selectin-IgG chimeras in a Selectin L competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
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
Blocking activity using seletin-IgG chimeras in a Selectin L competitive binding assay.


Citation and Details
More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
BDBM50422131
PNG
(CHEMBL2303887)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H22O8/c21-10-15-17(24)18(25)19(26)20(28-15)27-14-7-2-1-6-13(14)12-5-3-4-11(8-12)9-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L


J Med Chem 38: 4976-84 (1996)

More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
BDBM50422123
PNG
(CHEMBL2303953)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC#N)c2)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H21NO6/c21-9-8-12-4-3-5-13(10-12)14-6-1-2-7-15(14)26-20-19(25)18(24)17(23)16(11-22)27-20/h1-7,10,16-20,22-25H,8,11H2/t16-,17-,18-,19+,20+/m1/s1
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n/an/a 1.50E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L


J Med Chem 38: 4976-84 (1996)

More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
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 2.00E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L


J Med Chem 38: 4976-84 (1996)

More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
BDBM50422122
PNG
(CHEMBL2303951)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C23H25NO11/c25-10-16-18(28)19(29)20(30)23(35-16)34-15-4-2-1-3-13(15)11-5-7-12(8-6-11)21(31)24-14(22(32)33)9-17(26)27/h1-8,14,16,18-20,23,25,28-30H,9-10H2,(H,24,31)(H,26,27)(H,32,33)/t14?,16-,18-,19-,20+,23+/m1/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L


J Med Chem 38: 4976-84 (1996)

More data for this
Ligand-Target Pair
Leukocyte adhesion molecule-1


(Mus musculus)
BDBM50422125
PNG
(CHEMBL2303942)
Show SMILES OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(OCC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H22O9/c21-9-15-17(24)18(25)19(26)20(29-15)28-14-7-2-1-6-13(14)11-4-3-5-12(8-11)27-10-16(22)23/h1-8,15,17-21,24-26H,9-10H2,(H,22,23)/t15-,17-,18-,19+,20+/m1/s1
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n/an/a 1.70E+7n/an/an/an/an/an/a



Texas Biotechnology Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against sialyl Lewis X expressing HL60 cell binding Selectin L


J Med Chem 38: 4976-84 (1996)

More data for this
Ligand-Target Pair