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Found 197 hits Enz. Inhib. hit(s) with Target = 'Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha' AND taxid = 9606   
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
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107174
PNG
(1-{3-[4-(2-Methoxy-phenylsulfanyl)-2,3-bis-trifluo...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F6NO4S/c1-35-16-4-2-3-5-17(16)36-18-8-6-14(20(23(25,26)27)21(18)24(28,29)30)7-9-19(32)31-12-10-15(11-13-31)22(33)34/h2-9,15H,10-13H2,1H3,(H,33,34)/b9-7+
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n/an/a 0.100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(2-8)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107168
PNG
(1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H21F6NO5S/c26-24(27,28)21-14(2-6-20(33)32-9-7-15(8-10-32)23(34)35)1-5-19(22(21)25(29,30)31)38-16-3-4-17-18(13-16)37-12-11-36-17/h1-6,13,15H,7-12H2,(H,34,35)/b6-2+
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n/an/a 0.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(0.03-0.5)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50333919
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)o1
Show InChI InChI=1S/C27H22Cl2N2O8S/c1-40(36,37)22-5-4-17(39-22)12-20(27(34)35)30-25(32)23-19(28)10-16-13-31(8-6-18(16)24(23)29)26(33)15-3-2-14-7-9-38-21(14)11-15/h2-5,7,9-11,20H,6,8,12-13H2,1H3,(H,30,32)(H,34,35)/t20-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107166
PNG
(1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1C(F)(F)F
Show InChI InChI=1S/C24H21ClF3NO5S/c25-22-19(35-16-3-4-17-18(13-16)34-12-11-33-17)5-1-14(21(22)24(26,27)28)2-6-20(30)29-9-7-15(8-10-29)23(31)32/h1-6,13,15H,7-12H2,(H,31,32)/b6-2+
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-2)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107176
PNG
(1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfan...)
Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(Cl)c3Cl)ccc12
Show InChI InChI=1S/C24H22Cl2N2O3S/c1-27-11-8-17-14-18(4-5-19(17)27)32-20-6-2-15(22(25)23(20)26)3-7-21(29)28-12-9-16(10-13-28)24(30)31/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,30,31)/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (1-10)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107173
PNG
(1-{3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trif...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1Cl)C(F)(F)F
Show InChI InChI=1S/C23H21ClF3NO4S/c1-32-16-4-2-3-5-17(16)33-18-8-6-14(20(21(18)24)23(25,26)27)7-9-19(29)28-12-10-15(11-13-28)22(30)31/h2-9,15H,10-13H2,1H3,(H,30,31)/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-9)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107162
PNG
(3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trifluo...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1Cl)C(F)(F)F
Show InChI InChI=1S/C21H19ClF3NO3S/c1-28-15-4-2-3-5-16(15)30-17-8-6-14(19(20(17)22)21(23,24)25)7-9-18(27)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-10)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50324822
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1
Show InChI InChI=1S/C27H21Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,6,8-11,19H,5,7,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50333915
PNG
((S)-2-(2-(benzofuran-2-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2cc3ccccc3o2)C(O)=O)nn1
Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-17(31-32-34)11-20(27(37)38)30-25(35)23-19(28)9-16-12-33(8-7-18(16)24(23)29)26(36)22-10-15-5-3-4-6-21(15)39-22/h3-6,9-10,13-14,20H,7-8,11-12H2,1-2H3,(H,30,35)(H,37,38)/t20-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107169
PNG
(1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-t...)
Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12
Show InChI InChI=1S/C26H22F6N2O3S/c1-33-11-8-17-14-18(4-5-19(17)33)38-20-6-2-15(22(25(27,28)29)23(20)26(30,31)32)3-7-21(35)34-12-9-16(10-13-34)24(36)37/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,36,37)/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(3-10)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099129
PNG
(2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-phe...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl
Show InChI InChI=1S/C26H30Cl2N2O2S/c1-16(2)17-7-3-4-8-21(17)33-22-11-10-18(24(27)25(22)28)19-15-20(19)26(32)29-12-6-14-30-13-5-9-23(30)31/h3-4,7-8,10-11,16,19-20H,5-6,9,12-15H2,1-2H3,(H,29,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099129
PNG
(2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-phe...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl
Show InChI InChI=1S/C26H30Cl2N2O2S/c1-16(2)17-7-3-4-8-21(17)33-22-11-10-18(24(27)25(22)28)19-15-20(19)26(32)29-12-6-14-30-13-5-9-23(30)31/h3-4,7-8,10-11,16,19-20H,5-6,9,12-15H2,1-2H3,(H,29,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107164
PNG
(3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-pheny...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(Cl)c1Cl
Show InChI InChI=1S/C20H19Cl2NO3S/c1-25-15-4-2-3-5-16(15)27-17-8-6-14(19(21)20(17)22)7-9-18(24)23-10-12-26-13-11-23/h2-9H,10-13H2,1H3/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107167
PNG
(1-{3-[2,3-Dichloro-4-(2,3-dihydro-benzo[1,4]dioxin...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl
Show InChI InChI=1S/C23H21Cl2NO5S/c24-21-14(2-6-20(27)26-9-7-15(8-10-26)23(28)29)1-5-19(22(21)25)32-16-3-4-17-18(13-16)31-12-11-30-17/h1-6,13,15H,7-12H2,(H,28,29)/b6-2+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-9)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107181
PNG
(1-{3-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C24H25Cl2NO3S/c1-15(2)18-5-3-4-6-19(18)31-20-9-7-16(22(25)23(20)26)8-10-21(28)27-13-11-17(12-14-27)24(29)30/h3-10,15,17H,11-14H2,1-2H3,(H,29,30)/b10-8+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-18)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50333917
PNG
((S)-2-(5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-c...)
Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2cc3ccccn3n2)C(O)=O)nn1
Show InChI InChI=1S/C26H25Cl2N7O4/c1-14(2)35-13-16(30-32-35)10-21(26(38)39)29-24(36)22-19(27)9-15-12-33(8-6-18(15)23(22)28)25(37)20-11-17-5-3-4-7-34(17)31-20/h3-5,7,9,11,13-14,21H,6,8,10,12H2,1-2H3,(H,29,36)(H,38,39)/t21-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099132
PNG
(4-({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2NO3S/c1-13(2)14-6-3-4-7-18(14)30-19-10-9-15(21(24)22(19)25)16-12-17(16)23(29)26-11-5-8-20(27)28/h3-4,6-7,9-10,13,16-17H,5,8,11-12H2,1-2H3,(H,26,29)(H,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107161
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[2,3-dichloro-4-(2,3...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl
Show InChI InChI=1S/C23H22Cl2N2O4S/c1-15(28)26-8-10-27(11-9-26)21(29)7-3-16-2-6-20(23(25)22(16)24)32-17-4-5-18-19(14-17)31-13-12-30-18/h2-7,14H,8-13H2,1H3/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (6-10)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099140
PNG
(3-({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C22H23Cl2NO3S/c1-12(2)13-5-3-4-6-17(13)29-18-8-7-14(20(23)21(18)24)15-11-16(15)22(28)25-10-9-19(26)27/h3-8,12,15-16H,9-11H2,1-2H3,(H,25,28)(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107171
PNG
(1-{3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C22H21Cl2NO4S/c1-29-16-4-2-3-5-17(16)30-18-8-6-14(20(23)21(18)24)7-9-19(26)25-12-10-15(11-13-25)22(27)28/h2-9,15H,10-13H2,1H3,(H,27,28)/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-30)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099130
PNG
(1-[2-(2,3-Dichloro-4-{2-[3-(2-oxo-pyrrolidin-1-yl)...)
Show SMILES OC(=O)C1CCCN(C1)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl
Show InChI InChI=1S/C29H33Cl2N3O4S/c30-26-19(20-16-21(20)28(36)32-12-5-15-33-13-4-9-25(33)35)10-11-24(27(26)31)39-23-8-2-1-7-22(23)34-14-3-6-18(17-34)29(37)38/h1-2,7-8,10-11,18,20-21H,3-6,9,12-17H2,(H,32,36)(H,37,38)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099141
PNG
(({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-p...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C21H21Cl2NO3S/c1-11(2)12-5-3-4-6-16(12)28-17-8-7-13(19(22)20(17)23)14-9-15(14)21(27)24-10-18(25)26/h3-8,11,14-15H,9-10H2,1-2H3,(H,24,27)(H,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099141
PNG
(({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-p...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C21H21Cl2NO3S/c1-11(2)12-5-3-4-6-16(12)28-17-8-7-13(19(22)20(17)23)14-9-15(14)21(27)24-10-18(25)26/h3-8,11,14-15H,9-10H2,1-2H3,(H,24,27)(H,25,26)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099128
PNG
(1-{2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)N2CCCCC2C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H27Cl2NO3S/c1-14(2)15-7-3-4-9-20(15)32-21-11-10-16(22(26)23(21)27)17-13-18(17)24(29)28-12-6-5-8-19(28)25(30)31/h3-4,7,9-11,14,17-19H,5-6,8,12-13H2,1-2H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099142
PNG
(2-[4-(2-Morpholin-4-yl-phenylsulfanyl)-3-trifluoro...)
Show SMILES FC(F)(F)c1cc(ccc1Sc1ccccc1N1CCOCC1)C1CC1C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C28H32F3N3O3S/c29-28(30,31)22-17-19(20-18-21(20)27(36)32-10-4-12-34-11-3-7-26(34)35)8-9-24(22)38-25-6-2-1-5-23(25)33-13-15-37-16-14-33/h1-2,5-6,8-9,17,20-21H,3-4,7,10-16,18H2,(H,32,36)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099130
PNG
(1-[2-(2,3-Dichloro-4-{2-[3-(2-oxo-pyrrolidin-1-yl)...)
Show SMILES OC(=O)C1CCCN(C1)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl
Show InChI InChI=1S/C29H33Cl2N3O4S/c30-26-19(20-16-21(20)28(36)32-12-5-15-33-13-4-9-25(33)35)10-11-24(27(26)31)39-23-8-2-1-7-22(23)34-14-3-6-18(17-34)29(37)38/h1-2,7-8,10-11,18,20-21H,3-6,9,12-17H2,(H,32,36)(H,37,38)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099134
PNG
(1-{2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)N2CCCC(C2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H27Cl2NO3S/c1-14(2)16-7-3-4-8-20(16)32-21-10-9-17(22(26)23(21)27)18-12-19(18)24(29)28-11-5-6-15(13-28)25(30)31/h3-4,7-10,14-15,18-19H,5-6,11-13H2,1-2H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099134
PNG
(1-{2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)N2CCCC(C2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H27Cl2NO3S/c1-14(2)16-7-3-4-8-20(16)32-21-10-9-17(22(26)23(21)27)18-12-19(18)24(29)28-11-5-6-15(13-28)25(30)31/h3-4,7-10,14-15,18-19H,5-6,11-13H2,1-2H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50333916
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)nn1
Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-18(31-32-34)11-21(27(37)38)30-25(35)23-20(28)9-17-12-33(7-5-19(17)24(23)29)26(36)16-4-3-15-6-8-39-22(15)10-16/h3-4,6,8-10,13-14,21H,5,7,11-12H2,1-2H3,(H,30,35)(H,37,38)/t21-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50098759
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2-hydro...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OC(CO)COc3c2)c(Cl)c1
Show InChI InChI=1S/C24H25ClN2O5S/c1-16(29)26-8-10-27(11-9-26)24(30)7-3-17-2-6-23(20(25)12-17)33-19-4-5-21-22(13-19)31-15-18(14-28)32-21/h2-7,12-13,18,28H,8-11,14-15H2,1H3/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1


J Med Chem 44: 1202-10 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50098760
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1H-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3[nH]ccc3c2)c(Cl)c1
Show InChI InChI=1S/C23H22ClN3O2S/c1-16(28)26-10-12-27(13-11-26)23(29)7-3-17-2-6-22(20(24)14-17)30-19-4-5-21-18(15-19)8-9-25-21/h2-9,14-15,25H,10-13H2,1H3/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (20-30)


J Med Chem 44: 1202-10 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50098760
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1H-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3[nH]ccc3c2)c(Cl)c1
Show InChI InChI=1S/C23H22ClN3O2S/c1-16(28)26-10-12-27(13-11-26)23(29)7-3-17-2-6-22(20(24)14-17)30-19-4-5-21-18(15-19)8-9-25-21/h2-9,14-15,25H,10-13H2,1H3/b7-3+
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Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Leukocyte function associated antigen 1 (LFA-1)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50098771
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1-methy...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3n(C)ccc3c2)c(Cl)c1
Show InChI InChI=1S/C24H24ClN3O2S/c1-17(29)27-11-13-28(14-12-27)24(30)8-4-18-3-7-23(21(25)15-18)31-20-5-6-22-19(16-20)9-10-26(22)2/h3-10,15-16H,11-14H2,1-2H3/b8-4+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1


J Med Chem 44: 1202-10 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099135
PNG
(1-{2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H27Cl2NO3S/c1-14(2)16-5-3-4-6-20(16)32-21-8-7-17(22(26)23(21)27)18-13-19(18)24(29)28-11-9-15(10-12-28)25(30)31/h3-8,14-15,18-19H,9-13H2,1-2H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099135
PNG
(1-{2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H27Cl2NO3S/c1-14(2)16-5-3-4-6-20(16)32-21-8-7-17(22(26)23(21)27)18-13-19(18)24(29)28-11-9-15(10-12-28)25(30)31/h3-8,14-15,18-19H,9-13H2,1-2H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50324812
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50154496
PNG
((R)-5-(4-Bromo-benzyl)-3-(3,5-dichloro-phenyl)-1,5...)
Show SMILES CN1C(=O)N(C(=O)[C@@]1(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1
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Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50333904
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES Cc1ccc2n(cc(C(=O)NC[C@H](NC(=O)c3c(Cl)cc4CN(CCc4c3Cl)C(=O)c3ccc(Cl)cc3)C(O)=O)c2c1)S(C)(=O)=O
Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-3-8-25-21(11-16)22(15-38(25)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)26-23(33)12-18-14-37(10-9-20(18)27(26)34)30(41)17-4-6-19(32)7-5-17/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099132
PNG
(4-({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2NO3S/c1-13(2)14-6-3-4-7-18(14)30-19-10-9-15(21(24)22(19)25)16-12-17(16)23(29)26-11-5-8-20(27)28/h3-4,6-7,9-10,13,16-17H,5,8,11-12H2,1-2H3,(H,26,29)(H,27,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099130
PNG
(1-[2-(2,3-Dichloro-4-{2-[3-(2-oxo-pyrrolidin-1-yl)...)
Show SMILES OC(=O)C1CCCN(C1)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl
Show InChI InChI=1S/C29H33Cl2N3O4S/c30-26-19(20-16-21(20)28(36)32-12-5-15-33-13-4-9-25(33)35)10-11-24(27(26)31)39-23-8-2-1-7-22(23)34-14-3-6-18(17-34)29(37)38/h1-2,7-8,10-11,18,20-21H,3-6,9,12-17H2,(H,32,36)(H,37,38)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
50% inhibition of JY-8 cell adhesion to ICAM-1 via leukocyte function-associated antigen-1 (LFA-1) with 50% FBS


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50333918
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CS(=O)(=O)c1ncc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)[nH]1
Show InChI InChI=1S/C26H22Cl2N4O7S/c1-40(37,38)26-29-11-16(30-26)10-19(25(35)36)31-23(33)21-18(27)8-15-12-32(6-4-17(15)22(21)28)24(34)14-3-2-13-5-7-39-20(13)9-14/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3,(H,29,30)(H,31,33)(H,35,36)/t19-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50092956
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-phen...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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n/an/a 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(12-60)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099131
PNG
(2-[4-(2-Pyrrolidin-1-yl-phenylsulfanyl)-3-trifluor...)
Show SMILES FC(F)(F)c1cc(ccc1Sc1ccccc1N1CCCC1)C1CC1C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C28H32F3N3O2S/c29-28(30,31)22-17-19(20-18-21(20)27(36)32-12-6-16-34-15-5-9-26(34)35)10-11-24(22)37-25-8-2-1-7-23(25)33-13-3-4-14-33/h1-2,7-8,10-11,17,20-21H,3-6,9,12-16,18H2,(H,32,36)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099128
PNG
(1-{2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)N2CCCCC2C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C25H27Cl2NO3S/c1-14(2)15-7-3-4-9-20(15)32-21-11-10-16(22(26)23(21)27)17-13-18(17)24(29)28-12-6-5-8-19(28)25(30)31/h3-4,7,9-11,14,17-19H,5-6,8,12-13H2,1-2H3,(H,30,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099140
PNG
(3-({2-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C22H23Cl2NO3S/c1-12(2)13-5-3-4-6-17(13)29-18-8-7-14(20(23)21(18)24)15-11-16(15)22(28)25-10-9-19(26)27/h3-8,12,15-16H,9-11H2,1-2H3,(H,25,28)(H,26,27)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50333905
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES Cc1ccc2c(cn(c2c1)S(C)(=O)=O)C(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-3-8-21-22(15-38(25(21)11-16)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)26-23(33)12-18-14-37(10-9-20(18)27(26)34)30(41)17-4-6-19(32)7-5-17/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50098770
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1
Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (30-60)


J Med Chem 44: 1202-10 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50098770
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1
Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+
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Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Leukocyte function associated antigen 1 (LFA-1)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50107182
PNG
(3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-phenyl]-1...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C20H20ClNO3S/c1-24-17-4-2-3-5-19(17)26-18-8-6-15(14-16(18)21)7-9-20(23)22-10-12-25-13-11-22/h2-9,14H,10-13H2,1H3/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (6-100)


J Med Chem 44: 4393-403 (2001)

More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50099137
PNG
(2-[4-(2-Piperidin-1-yl-phenylsulfanyl)-3-trifluoro...)
Show SMILES FC(F)(F)c1cc(ccc1Sc1ccccc1N1CCCCC1)C1CC1C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C29H34F3N3O2S/c30-29(31,32)23-18-20(21-19-22(21)28(37)33-13-7-17-35-16-6-10-27(35)36)11-12-25(23)38-26-9-3-2-8-24(26)34-14-4-1-5-15-34/h2-3,8-9,11-12,18,21-22H,1,4-7,10,13-17,19H2,(H,33,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the adherence of leukocyte function-associated antigen-1 (LFA-1) expressing JY-8 cells and intercellular adhesion molecule (ICAM-1) ...


Bioorg Med Chem Lett 11: 973-6 (2001)

More data for this
Ligand-Target Pair
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