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Compile Data Set for Download or QSAR

Found 293 hits with Last Name = 'reilly' and Initial = 'eb'   
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
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(3-6)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(4-6)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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 intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(5-5)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (4-7)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (5-8)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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 intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-6)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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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n/an/a 6n/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 (3-18)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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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n/an/a 6n/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

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 7n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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 intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(6-9)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-9)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 7n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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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n/an/a 8n/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 (6-10)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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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n/an/a 8n/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 (2-30)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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 intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-10)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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 intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-12)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 9n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 9n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 10n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range (6-19)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))		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 intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(6-13)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 12n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 12n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 13n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 13n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 15n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50103304
PNG
(3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-phenyl]-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(C=CC(=O)N2CCOC(C2)c2nnn[nH]2)cc1[N+]([O-])=O |w:14.14|
Show InChI InChI=1S/C23H24N6O4S/c1-15(2)17-5-3-4-6-20(17)34-21-9-7-16(13-18(21)29(31)32)8-10-22(30)28-11-12-33-19(14-28)23-24-26-27-25-23/h3-10,13,15,19H,11-12,14H2,1-2H3,(H,24,25,26,27)
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to antagonise the Leukocyte function-associated Antigen-1/ Intracellular Adhesion molecule-1 interaction (LFA-1/ICAM-1)

J Med Chem 44: 2913-20 (2001)


BindingDB Entry DOI: 10.7270/Q2PZ5831
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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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n/an/a 20n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		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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n/an/a 20n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50103296
PNG
(1-{3-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfanyl...)
Show SMILES OC(=O)C1CCCN(C1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F3NO5S/c25-24(26,27)18-12-15(4-8-22(29)28-9-1-2-16(14-28)23(30)31)3-7-21(18)34-17-5-6-19-20(13-17)33-11-10-32-19/h3-8,12-13,16H,1-2,9-11,14H2,(H,30,31)/b8-4+
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to antagonise the Leukocyte function-associated Antigen-1/ Intracellular Adhesion molecule-1 interaction (LFA-1/ICAM-1)

J Med Chem 44: 2913-20 (2001)


BindingDB Entry DOI: 10.7270/Q2PZ5831
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50103302
PNG
(4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES CNC(=O)N1CCN(CC1)C(=O)C=Cc1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O |w:12.12|
Show InChI InChI=1S/C24H28N4O4S/c1-17(2)19-6-4-5-7-21(19)33-22-10-8-18(16-20(22)28(31)32)9-11-23(29)26-12-14-27(15-13-26)24(30)25-3/h4-11,16-17H,12-15H2,1-3H3,(H,25,30)
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to antagonise the Leukocyte function-associated Antigen-1/ Intracellular Adhesion molecule-1 interaction (LFA-1/ICAM-1)

J Med Chem 44: 2913-20 (2001)


BindingDB Entry DOI: 10.7270/Q2PZ5831
More data for this
Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50157415
PNG
((S)-1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluo...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C26H25F3N2O2S/c1-16(2)19-6-3-4-8-22(19)34-23-10-9-17(14-20(23)26(27,28)29)18-11-12-30-24(15-18)31-13-5-7-21(31)25(32)33/h3-4,6,8-12,14-16,21H,5,7,13H2,1-2H3,(H,32,33)/t21-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex

Bioorg Med Chem Lett 15: 195-201 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 27n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 29n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		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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n/an/a 29n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
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