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Compile Data Set for Download or QSAR

Found 617 hits of ic50 for UniProtKB: P05362   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105186
PNG
(4-(4-Trifluoromethyl-phenoxy)-thieno[2,3-c]pyridin...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(F)(F)F)cncc2s1
Show InChI InChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22)
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n/an/a 1n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105227
PNG
(4-[4-(Tetrahydro-pyran-2-yloxymethyl)-phenoxy]-thi...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(COC4CCCCO4)cc3)cncc2s1
Show InChI InChI=1S/C20H20N2O4S/c21-20(23)17-9-15-16(10-22-11-18(15)27-17)26-14-6-4-13(5-7-14)12-25-19-3-1-2-8-24-19/h4-7,9-11,19H,1-3,8,12H2,(H2,21,23)
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n/an/a 1.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386338
PNG
(CHEMBL2048036)
Show SMILES CCS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1
Show InChI InChI=1S/C30H26Cl2N2O7S/c1-2-42(39,40)21-5-3-4-17(12-21)13-24(30(37)38)33-28(35)26-23(31)14-20-16-34(10-8-22(20)27(26)32)29(36)19-7-6-18-9-11-41-25(18)15-19/h3-7,9,11-12,14-15,24H,2,8,10,13,16H2,1H3,(H,33,35)(H,37,38)/t24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105156
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1
Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to IL-1beta induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105215
PNG
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)C#N)cncc2s1
Show InChI InChI=1S/C15H9N3O2S/c16-6-9-1-3-10(4-2-9)20-12-7-18-8-14-11(12)5-13(21-14)15(17)19/h1-5,7-8H,(H2,17,19)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105151
PNG
(4-(4-Vinyl-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(C=C)cc3)cncc2s1
Show InChI InChI=1S/C16H12N2O2S/c1-2-10-3-5-11(6-4-10)20-13-8-18-9-15-12(13)7-14(21-15)16(17)19/h2-9H,1H2,(H2,17,19)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50386331
PNG
(CHEMBL2048028)
Show SMILES CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1
Show InChI InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1
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n/an/a 2.98n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ICAM-1 adhesion into human Jurkat cells after 1 hr


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199036
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)c1ccc2ncccc2c1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H21Cl2N5O3/c1-35-29(40)37(24-13-22(31)12-23(32)14-24)28(39)30(35)17-36(16-25(30)19-6-4-18(15-33)5-7-19)27(38)21-8-9-26-20(11-21)3-2-10-34-26/h2-14,25H,16-17H2,1H3/t25-,30+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386328
PNG
(CHEMBL2048025)
Show SMILES CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c1
Show InChI InChI=1S/C27H23Cl3N2O6S/c1-39(37,38)19-4-2-3-15(11-19)12-22(27(35)36)31-25(33)23-21(29)13-17-14-32(10-9-20(17)24(23)30)26(34)16-5-7-18(28)8-6-16/h2-8,11,13,22H,9-10,12,14H2,1H3,(H,31,33)(H,35,36)/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to IL-1beta induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105155
PNG
(4-(4-Cyano-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)C(=O)CC(C)(O)c3ccc(Oc4cncc5sc(cc45)C(=O)NC)cc3)cncc2s1
Show InChI InChI=1S/C34H28N4O6S2/c1-34(42,20-6-10-22(11-7-20)44-27-16-38-18-31-24(27)13-29(46-31)33(41)36-3)14-25(39)19-4-8-21(9-5-19)43-26-15-37-17-30-23(26)12-28(45-30)32(40)35-2/h4-13,15-18,42H,14H2,1-3H3,(H,35,40)(H,36,41)
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n/an/a 3.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386325
PNG
(CHEMBL2048402)
Show SMILES NS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1
Show InChI InChI=1S/C28H23Cl2N3O7S/c29-21-12-18-14-33(27(35)17-5-4-16-7-9-40-23(16)13-17)8-6-20(18)25(30)24(21)26(34)32-22(28(36)37)11-15-2-1-3-19(10-15)41(31,38)39/h1-5,7,9-10,12-13,22H,6,8,11,14H2,(H,32,34)(H,36,37)(H2,31,38,39)/t22-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105196
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES COCCOCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C20H22N2O5S/c1-24-6-7-25-8-9-26-13-14-2-4-15(5-3-14)27-17-11-22-12-19-16(17)10-18(28-19)20(21)23/h2-5,10-12H,6-9,13H2,1H3,(H2,21,23)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105178
PNG
(4-(4-Iodo-phenoxy)-thieno[2,3-c]pyridine-2-carboxy...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
Show InChI InChI=1S/C14H9IN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105195
PNG
(4-(4-Pyrazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-2...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-n3cccn3)cncc2s1
Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-9-14-15(10-20-11-17(14)25-16)24-13-5-3-12(4-6-13)22-8-2-7-21-22/h2-11H,1H3,(H,19,23)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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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n/an/a 5n/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)


Article DOI: 10.1016/s0960-894x(01)00105-6
BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50324824
PNG
((S)-2-(2-(benzofuran-2-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C27H21Cl2N3O6S/c28-17-10-15-13-32(26(35)20-11-14-4-1-2-5-19(14)38-20)8-7-16(15)23(29)22(17)25(34)31-18(27(36)37)12-30-24(33)21-6-3-9-39-21/h1-6,9-11,18H,7-8,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105183
PNG
(4-(4-Furan-2-yl-phenoxy)-thieno[2,3-c]pyridine-2-c...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3ccco3)cncc2s1
Show InChI InChI=1S/C19H14N2O3S/c1-20-19(22)17-9-14-16(10-21-11-18(14)25-17)24-13-6-4-12(5-7-13)15-3-2-8-23-15/h2-11H,1H3,(H,20,22)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105205
PNG
(4-(4-Imidazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(cc3)-n3ccnc3)cncc2s1
Show InChI InChI=1S/C17H12N4O2S/c18-17(22)15-7-13-14(8-20-9-16(13)24-15)23-12-3-1-11(2-4-12)21-6-5-19-10-21/h1-10H,(H2,18,22)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105180
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105156
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1
Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105156
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1
Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to TNF-alpha induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105156
PNG
(4-{4-[2-(2-Methoxy-ethoxy)-ethoxymethyl]-phenoxy}-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOCCOC)cc3)cncc2s1
Show InChI InChI=1S/C21H24N2O5S/c1-22-21(24)19-11-17-18(12-23-13-20(17)29-19)28-16-5-3-15(4-6-16)14-27-10-9-26-8-7-25-2/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)
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n/an/a 5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to PMA induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199031
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccc3ncccc3c2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H23Cl2N5O2/c1-35-29(39)37(25-13-23(31)12-24(32)14-25)28(38)30(35)18-36(17-26(30)21-7-4-19(15-33)5-8-21)16-20-6-9-27-22(11-20)3-2-10-34-27/h2-14,26H,16-18H2,1H3/t26-,30+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386326
PNG
(CHEMBL2048024)
Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)o1
Show InChI InChI=1S/C25H21Cl3N2O7S/c1-38(35,36)20-7-6-16(37-20)11-19(25(33)34)29-23(31)21-18(27)10-14-12-30(9-8-17(14)22(21)28)24(32)13-2-4-15(26)5-3-13/h2-7,10,19H,8-9,11-12H2,1H3,(H,29,31)(H,33,34)/t19-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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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n/an/a 6n/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)


Article DOI: 10.1016/s0960-894x(01)00105-6
BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105162
PNG
(4-(4-Bromo-phenoxy)-thieno[2,3-c]pyridine-2-carbox...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
Show InChI InChI=1S/C14H9BrN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory potency compared to PMA induced Intercellular adhesion molecule-1 in human endothelial cells (ELISA assay)


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105172
PNG
(4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...)
Show SMILES COCCOCc1ccc(Oc2cncc3sc(cc23)C(N)=O)cc1
Show InChI InChI=1S/C18H18N2O4S/c1-22-6-7-23-11-12-2-4-13(5-3-12)24-15-9-20-10-17-14(15)8-16(25-17)18(19)21/h2-5,8-10H,6-7,11H2,1H3,(H2,19,21)
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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 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105201
PNG
(4-(4-Imidazol-1-yl-phenoxy)-thieno[2,3-c]pyridine-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-n3ccnc3)cncc2s1
Show InChI InChI=1S/C18H14N4O2S/c1-19-18(23)16-8-14-15(9-21-10-17(14)25-16)24-13-4-2-12(3-5-13)22-7-6-20-11-22/h2-11H,1H3,(H,19,23)
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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 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105164
PNG
(4-(4-Thiophen-2-yl-phenoxy)-thieno[2,3-c]pyridine-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3cccs3)cncc2s1
Show InChI InChI=1S/C19H14N2O2S2/c1-20-19(22)17-9-14-15(10-21-11-18(14)25-17)23-13-6-4-12(5-7-13)16-3-2-8-24-16/h2-11H,1H3,(H,20,22)
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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 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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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n/an/a 6n/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)


Article DOI: 10.1016/s0960-894x(01)00105-6
BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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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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)


Article DOI: 10.1016/s0960-894x(01)00105-6
BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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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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)


Article DOI: 10.1016/s0960-894x(01)00105-6
BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50199037
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CNCC1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-25-19(28)26(16-7-14(21)6-15(22)8-16)18(27)20(25)11-24-10-17(20)13-4-2-12(9-23)3-5-13/h2-8,17,24H,10-11H2,1H3/t17?,20-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50098517
PNG
(4-(3,4-Dimethyl-phenylsulfanyl)-thieno[2,3-c]pyrid...)
Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(N)=O)cc1C
Show InChI InChI=1S/C16H14N2OS2/c1-9-3-4-11(5-10(9)2)20-14-7-18-8-15-12(14)6-13(21-15)16(17)19/h3-8H,1-2H3,(H2,17,19)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against TNF alpha induced expresion of intercellular adhesion molecule-1 on human vascular endothelial cells using CAM ELISA assay


J Med Chem 44: 988-1002 (2001)


Article DOI: 10.1021/jm000452m
BindingDB Entry DOI: 10.7270/Q2CF9PC4
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105207
PNG
(4-[4-(2-Methoxy-ethoxymethyl)-phenoxy]-thieno[2,3-...)
Show SMILES CNC(=O)c1cc2c(Oc3ccc(COCCOC)cc3)cncc2s1
Show InChI InChI=1S/C19H20N2O4S/c1-20-19(22)17-9-15-16(10-21-11-18(15)26-17)25-14-5-3-13(4-6-14)12-24-8-7-23-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,22)
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n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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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n/an/a 8n/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)


Article DOI: 10.1016/s0960-894x(01)00105-6
BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386331
PNG
(CHEMBL2048028)
Show SMILES CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1
Show InChI InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105181
PNG
(4-(4-Chloro-phenoxy)-thieno[2,3-c]pyridine-2-carbo...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
Show InChI InChI=1S/C14H9ClN2O2S/c15-8-1-3-9(4-2-8)19-11-6-17-7-13-10(11)5-12(20-13)14(16)18/h1-7H,(H2,16,18)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of intercellular adhesion molecule-1 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /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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n/an/a 9n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration assay


Bioorg Med Chem Lett 20: 5269-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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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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)


Article DOI: 10.1016/s0960-894x(01)00105-6
BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386324
PNG
(CHEMBL2048033)
Show SMILES CS(=O)(=O)c1cc(F)cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1
Show InChI InChI=1S/C29H23Cl2FN2O7S/c1-42(39,40)20-9-15(8-19(32)13-20)10-23(29(37)38)33-27(35)25-22(30)11-18-14-34(6-4-21(18)26(25)31)28(36)17-3-2-16-5-7-41-24(16)12-17/h2-3,5,7-9,11-13,23H,4,6,10,14H2,1H3,(H,33,35)(H,37,38)/t23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386327
PNG
(CHEMBL2048023)
Show SMILES CC(C)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c1
Show InChI InChI=1S/C29H27Cl3N2O4/c1-16(2)19-5-3-4-17(12-19)13-24(29(37)38)33-27(35)25-23(31)14-20-15-34(11-10-22(20)26(25)32)28(36)18-6-8-21(30)9-7-18/h3-9,12,14,16,24H,10-11,13,15H2,1-2H3,(H,33,35)(H,37,38)/t24-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386334
PNG
(CHEMBL2048031)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1
Show InChI InChI=1S/C29H23Cl3N2O7S/c1-42(39,40)20-9-15(8-19(30)13-20)10-23(29(37)38)33-27(35)25-22(31)11-18-14-34(6-4-21(18)26(25)32)28(36)17-3-2-16-5-7-41-24(16)12-17/h2-3,5,7-9,11-13,23H,4,6,10,14H2,1H3,(H,33,35)(H,37,38)/t23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50386341
PNG
(CHEMBL2048404)
Show SMILES CN(C)S(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1
Show InChI InChI=1S/C30H27Cl2N3O7S/c1-34(2)43(40,41)21-5-3-4-17(12-21)13-24(30(38)39)33-28(36)26-23(31)14-20-16-35(10-8-22(20)27(26)32)29(37)19-7-6-18-9-11-42-25(18)15-19/h3-7,9,11-12,14-15,24H,8,10,13,16H2,1-2H3,(H,33,36)(H,38,39)/t24-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...


ACS Med Chem Lett 3: 203-206 (2012)


Article DOI: 10.1021/ml2002482
BindingDB Entry DOI: 10.7270/Q2BV7HP5
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
BDBM50105204
PNG
(4-(4-Chloro-3-fluoro-phenoxy)-thieno[2,3-c]pyridin...)
Show SMILES NC(=O)c1cc2c(Oc3ccc(Cl)c(F)c3)cncc2s1
Show InChI InChI=1S/C14H8ClFN2O2S/c15-9-2-1-7(3-10(9)16)20-11-5-18-6-13-8(11)4-12(21-13)14(17)19/h1-6H,(H2,17,19)
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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 (ICAM1) in human endothelial cells


J Med Chem 44: 3469-87 (2001)


Article DOI: 10.1021/jm0101702
BindingDB Entry DOI: 10.7270/Q2KW5FBM
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /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)


Article DOI: 10.1016/s0960-894x(01)00105-6
BindingDB Entry DOI: 10.7270/Q24T6HN4
More data for this
Ligand-Target Pair
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