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Found 147 hits Enz. Inhib. hit(s) with Target = 'Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha'   
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 beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154483
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCC(O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23BrCl2N4O4S/c1-24(13-15-2-4-16(25)5-3-15)22(33)30(19-11-17(26)10-18(27)12-19)23-28-14-21(31(23)24)36(34,35)29-8-6-20(32)7-9-29/h2-5,10-12,14,20,32H,6-9,13H2,1H3/t24-/m1/s1
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n/an/an/a 8n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154483
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCC(O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23BrCl2N4O4S/c1-24(13-15-2-4-16(25)5-3-15)22(33)30(19-11-17(26)10-18(27)12-19)23-28-14-21(31(23)24)36(34,35)29-8-6-20(32)7-9-29/h2-5,10-12,14,20,32H,6-9,13H2,1H3/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function-associated antigen-1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154476
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)CCCO)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H20BrCl2N3O4S/c1-22(12-14-3-5-15(23)6-4-14)20(30)27(18-10-16(24)9-17(25)11-18)21-26-13-19(28(21)22)33(31,32)8-2-7-29/h3-6,9-11,13,29H,2,7-8,12H2,1H3/t22-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154476
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)CCCO)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H20BrCl2N3O4S/c1-22(12-14-3-5-15(23)6-4-14)20(30)27(18-10-16(24)9-17(25)11-18)21-26-13-19(28(21)22)33(31,32)8-2-7-29/h3-6,9-11,13,29H,2,7-8,12H2,1H3/t22-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154506
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)CCCCO)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H22BrCl2N3O4S/c1-23(13-15-4-6-16(24)7-5-15)21(31)28(19-11-17(25)10-18(26)12-19)22-27-14-20(29(22)23)34(32,33)9-3-2-8-30/h4-7,10-12,14,30H,2-3,8-9,13H2,1H3/t23-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154489
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2nccn12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H14BrCl2N3O/c1-19(11-12-2-4-13(20)5-3-12)17(26)25(18-23-6-7-24(18)19)16-9-14(21)8-15(22)10-16/h2-10H,11H2,1H3/t19-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154481
PNG
(Acetic acid 3-[(R)-5-(4-bromo-benzyl)-7-(3,5-dichl...)
Show SMILES CC(=O)OCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H22BrCl2N3O5S/c1-15(31)35-8-3-9-36(33,34)21-14-28-23-29(20-11-18(26)10-19(27)12-20)22(32)24(2,30(21)23)13-16-4-6-17(25)7-5-16/h4-7,10-12,14H,3,8-9,13H2,1-2H3/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154472
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCC(=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H21BrCl2N4O4S/c1-24(13-15-2-4-16(25)5-3-15)22(33)30(19-11-17(26)10-18(27)12-19)23-28-14-21(31(23)24)36(34,35)29-8-6-20(32)7-9-29/h2-5,10-12,14H,6-9,13H2,1H3/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154478
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES COCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H22BrCl2N3O4S/c1-23(13-15-4-6-16(24)7-5-15)21(30)28(19-11-17(25)10-18(26)12-19)22-27-14-20(29(22)23)34(31,32)9-3-8-33-2/h4-7,10-12,14H,3,8-9,13H2,1-2H3/t23-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154480
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H21BrCl2N4O4S/c1-23(13-15-2-4-16(24)5-3-15)21(31)29(19-11-17(25)10-18(26)12-19)22-27-14-20(30(22)23)35(32,33)28-6-8-34-9-7-28/h2-5,10-12,14H,6-9,13H2,1H3/t23-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
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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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154502
PNG
(Acetic acid 4-[(R)-5-(4-bromo-benzyl)-7-(3,5-dichl...)
Show SMILES CC(=O)OCCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H24BrCl2N3O5S/c1-16(32)36-9-3-4-10-37(34,35)22-15-29-24-30(21-12-19(27)11-20(28)13-21)23(33)25(2,31(22)24)14-17-5-7-18(26)8-6-17/h5-8,11-13,15H,3-4,9-10,14H2,1-2H3/t25-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154492
PNG
(CHEMBL188615 | N-{3-[(R)-5-(4-Bromo-benzyl)-7-(3,5...)
Show SMILES CC(=O)NCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23BrCl2N4O4S/c1-15(32)28-8-3-9-36(34,35)21-14-29-23-30(20-11-18(26)10-19(27)12-20)22(33)24(2,31(21)23)13-16-4-6-17(25)7-5-16/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,28,32)/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154494
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)CCO)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H18BrCl2N3O4S/c1-21(11-13-2-4-14(22)5-3-13)19(29)26(17-9-15(23)8-16(24)10-17)20-25-12-18(27(20)21)32(30,31)7-6-28/h2-5,8-10,12,28H,6-7,11H2,1H3/t21-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154483
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCC(O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23BrCl2N4O4S/c1-24(13-15-2-4-16(25)5-3-15)22(33)30(19-11-17(26)10-18(27)12-19)23-28-14-21(31(23)24)36(34,35)29-8-6-20(32)7-9-29/h2-5,10-12,14,20,32H,6-9,13H2,1H3/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154501
PNG
(5-(4-Bromo-benzyl)-7-(3,5-dichloro-phenyl)-5-methy...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2nncn12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H13BrCl2N4O/c1-18(9-11-2-4-12(19)5-3-11)16(26)25(17-23-22-10-24(17)18)15-7-13(20)6-14(21)8-15/h2-8,10H,9H2,1H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154481
PNG
(Acetic acid 3-[(R)-5-(4-bromo-benzyl)-7-(3,5-dichl...)
Show SMILES CC(=O)OCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H22BrCl2N3O5S/c1-15(31)35-8-3-9-36(33,34)21-14-28-23-29(20-11-18(26)10-19(27)12-20)22(32)24(2,30(21)23)13-16-4-6-17(25)7-5-16/h4-7,10-12,14H,3,8-9,13H2,1-2H3/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154488
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCNCC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H22BrCl2N5O3S/c1-23(13-15-2-4-16(24)5-3-15)21(32)30(19-11-17(25)10-18(26)12-19)22-28-14-20(31(22)23)35(33,34)29-8-6-27-7-9-29/h2-5,10-12,14,27H,6-9,13H2,1H3/t23-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154477
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(C)(=O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16BrCl2N3O3S/c1-20(10-12-3-5-13(21)6-4-12)18(27)25(16-8-14(22)7-15(23)9-16)19-24-11-17(26(19)20)30(2,28)29/h3-9,11H,10H2,1-2H3/t20-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154498
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCCCC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23BrCl2N4O3S/c1-24(14-16-5-7-17(25)8-6-16)22(32)30(20-12-18(26)11-19(27)13-20)23-28-15-21(31(23)24)35(33,34)29-9-3-2-4-10-29/h5-8,11-13,15H,2-4,9-10,14H2,1H3/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154492
PNG
(CHEMBL188615 | N-{3-[(R)-5-(4-Bromo-benzyl)-7-(3,5...)
Show SMILES CC(=O)NCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23BrCl2N4O4S/c1-15(32)28-8-3-9-36(34,35)21-14-29-23-30(20-11-18(26)10-19(27)12-20)22(33)24(2,31(21)23)13-16-4-6-17(25)7-5-16/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,28,32)/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154475
PNG
(3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-metha...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(C)(=O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16BrCl2N3O3S/c1-20(10-12-3-5-13(21)6-4-12)18(27)25(16-8-14(22)7-15(23)9-16)19-24-11-17(26(19)20)30(2,28)29/h3-9,11H,10H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154504
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCCC(O)C1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H23BrCl2N4O4S/c1-24(12-15-4-6-16(25)7-5-15)22(33)30(19-10-17(26)9-18(27)11-19)23-28-13-21(31(23)24)36(34,35)29-8-2-3-20(32)14-29/h4-7,9-11,13,20,32H,2-3,8,12,14H2,1H3/t20?,24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154476
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-(...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)CCCO)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H20BrCl2N3O4S/c1-22(12-14-3-5-15(23)6-4-14)20(30)27(18-10-16(24)9-17(25)11-18)21-26-13-19(28(21)22)33(31,32)8-2-7-29/h3-6,9-11,13,29H,2,7-8,12H2,1H3/t22-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154486
PNG
(6-(4-Bromo-benzyl)-4-(3,5-dichloro-phenyl)-6-methy...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2nnnn12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C17H12BrCl2N5O/c1-17(9-10-2-4-11(18)5-3-10)15(26)24(16-21-22-23-25(16)17)14-7-12(19)6-13(20)8-14/h2-8H,9H2,1H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154503
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES CNCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H23BrCl2N4O3S/c1-23(13-15-4-6-16(24)7-5-15)21(31)29(19-11-17(25)10-18(26)12-19)22-28-14-20(30(22)23)34(32,33)9-3-8-27-2/h4-7,10-12,14,27H,3,8-9,13H2,1-2H3/t23-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154479
PNG
((R)-5-(3-Amino-propane-1-sulfonyl)-3-(4-bromo-benz...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)CCCN)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H21BrCl2N4O3S/c1-22(12-14-3-5-15(23)6-4-14)20(30)28(18-10-16(24)9-17(25)11-18)21-27-13-19(29(21)22)33(31,32)8-2-7-26/h3-6,9-11,13H,2,7-8,12,26H2,1H3/t22-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154505
PNG
(5-Bromo-3-(4-bromo-benzyl)-1-(3,5-dichloro-phenyl)...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(Br)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H13Br2Cl2N3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(21)26(18)19)15-7-13(22)6-14(23)8-15/h2-8,10H,9H2,1H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154482
PNG
(5-(4-Bromo-benzyl)-7-(3,5-dichloro-phenyl)-5-methy...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(C#N)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H13BrCl2N4O/c1-20(9-12-2-4-13(21)5-3-12)18(28)26(16-7-14(22)6-15(23)8-16)19-25-11-17(10-24)27(19)20/h2-8,11H,9H2,1H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154491
PNG
(5-Acetyl-3-(4-bromo-benzyl)-1-(3,5-dichloro-phenyl...)
Show SMILES CC(=O)c1cnc2N(C(=O)C(C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H16BrCl2N3O2/c1-12(28)18-11-25-20-26(17-8-15(23)7-16(24)9-17)19(29)21(2,27(18)20)10-13-3-5-14(22)6-4-13/h3-9,11H,10H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154497
PNG
(5-(4-Bromo-benzyl)-7-(3,5-dichloro-phenyl)-5-methy...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2nc(cn12)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H13BrCl2N4O/c1-20(9-12-2-4-13(21)5-3-12)18(28)27(17-7-14(22)6-15(23)8-17)19-25-16(10-24)11-26(19)20/h2-8,11H,9H2,1H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154472
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCC(=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H21BrCl2N4O4S/c1-24(13-15-2-4-16(25)5-3-15)22(33)30(19-11-17(26)10-18(27)12-19)23-28-14-21(31(23)24)36(34,35)29-8-6-20(32)7-9-29/h2-5,10-12,14H,6-9,13H2,1H3/t24-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154499
PNG
(3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3,5-dim...)
Show SMILES Cc1cnc2N(C(=O)C(C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16BrCl2N3O/c1-12-11-24-19-25(17-8-15(22)7-16(23)9-17)18(27)20(2,26(12)19)10-13-3-5-14(21)6-4-13/h3-9,11H,10H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154485
PNG
(3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-metho...)
Show SMILES COc1cnc2N(C(=O)C(C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16BrCl2N3O2/c1-20(10-12-3-5-13(21)6-4-12)18(27)25(16-8-14(22)7-15(23)9-16)19-24-11-17(28-2)26(19)20/h3-9,11H,10H2,1-2H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154490
PNG
(3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-methy...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2nccn12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H14BrCl2N3O/c1-19(11-12-2-4-13(20)5-3-12)17(26)25(18-23-6-7-24(18)19)16-9-14(21)8-15(22)10-16/h2-10H,11H2,1H3
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154488
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCNCC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H22BrCl2N5O3S/c1-23(13-15-2-4-16(24)5-3-15)21(32)30(19-11-17(25)10-18(26)12-19)22-28-14-20(31(22)23)35(33,34)29-8-6-27-7-9-29/h2-5,10-12,14,27H,6-9,13H2,1H3/t23-/m1/s1
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Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154474
PNG
(3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-5-iodo-...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(I)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H13BrCl2IN3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)25(18-24-10-16(23)26(18)19)15-7-13(21)6-14(22)8-15/h2-8,10H,9H2,1H3
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n/an/an/a 410n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154473
PNG
(6-Bromo-3-(4-bromo-benzyl)-1-(3,5-dichloro-phenyl)...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2nc(Br)cn12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H13Br2Cl2N3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)26(18-24-16(21)10-25(18)19)15-7-13(22)6-14(23)8-15/h2-8,10H,9H2,1H3
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n/an/an/a 630n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154484
PNG
(3-Benzyl-1-(3,5-dichloro-phenyl)-3-methyl-1,3-dihy...)
Show SMILES CC1(Cc2ccccc2)C(=O)N(c2ccccc12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H17Cl2NO/c1-22(14-15-7-3-2-4-8-15)19-9-5-6-10-20(19)25(21(22)26)18-12-16(23)11-17(24)13-18/h2-13H,14H2,1H3
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n/an/an/a 760n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154487
PNG
(3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-6-metha...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2nc(cn12)S(C)(=O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16BrCl2N3O3S/c1-20(10-12-3-5-13(21)6-4-12)18(27)26(16-8-14(22)7-15(23)9-16)19-24-17(11-25(19)20)30(2,28)29/h3-9,11H,10H2,1-2H3
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n/an/an/a 920n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154493
PNG
(6-Acetyl-3-(4-bromo-benzyl)-1-(3,5-dichloro-phenyl...)
Show SMILES CC(=O)c1cn2c(n1)N(C(=O)C2(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H16BrCl2N3O2/c1-12(28)18-11-26-20(25-18)27(17-8-15(23)7-16(24)9-17)19(29)21(26,2)10-13-3-5-14(22)6-4-13/h3-9,11H,10H2,1-2H3
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n/an/an/a 1.62E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154495
PNG
((S)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2nccn12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H14BrCl2N3O/c1-19(11-12-2-4-13(20)5-3-12)17(26)25(18-23-6-7-24(18)19)16-9-14(21)8-15(22)10-16/h2-10H,11H2,1H3/t19-/m0/s1
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n/an/an/a>7.00E+3n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154500
PNG
(3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-6-iodo-...)
Show SMILES CC1(Cc2ccc(Br)cc2)C(=O)N(c2nc(I)cn12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H13BrCl2IN3O/c1-19(9-11-2-4-12(20)5-3-11)17(27)26(18-24-16(23)10-25(18)19)15-7-13(21)6-14(22)8-15/h2-8,10H,9H2,1H3
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n/an/an/a>2.00E+4n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50094702
PNG
(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Show SMILES c1cc2ccccc2[nH]1
Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
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n/an/an/a 3.00E+5n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Leukocyte function associated antigen 1 (LFA-1)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50094702
PNG
(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Show SMILES c1cc2ccccc2[nH]1
Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
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n/an/an/a 3.00E+5n/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)


Article DOI: 10.1021/jm000503f
BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50098763
PNG
(1-Methyl-1H-indole | CHEMBL19912)
Show SMILES Cn1ccc2ccccc12
Show InChI InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
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n/an/an/a 1.40E+6n/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)


Article DOI: 10.1021/jm000503f
BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50098751
PNG
(Benzo[1,2,5]thiadiazole | CHEMBL283327)
Show SMILES c1ccc2nsnc2c1
Show InChI InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
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n/an/an/a 8.00E+6n/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)


Article DOI: 10.1021/jm000503f
BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50098766
PNG
(2,3-Dihydro-benzo[1,4]dioxine | CHEMBL19452)
Show SMILES C1COc2ccccc2O1
Show InChI InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
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n/an/an/a 1.00E+7n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Leukocyte function associated antigen 1 (LFA-1)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50098766
PNG
(2,3-Dihydro-benzo[1,4]dioxine | CHEMBL19452)
Show SMILES C1COc2ccccc2O1
Show InChI InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
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n/an/an/a 1.00E+7n/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)


Article DOI: 10.1021/jm000503f
BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50033941
PNG
(5-Methyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2...)
Show SMILES Cc1c(cnn1-c1nc(cs1)-c1cccc(c1)C(F)(F)F)C(=O)NCCCO
Show InChI InChI=1S/C18H17F3N4O2S/c1-11-14(16(27)22-6-3-7-26)9-23-25(11)17-24-15(10-28-17)12-4-2-5-13(8-12)18(19,20)21/h2,4-5,8-10,26H,3,6-7H2,1H3,(H,22,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HL-60 cell adhesion to purified ICAM-1 by LFA-1


J Med Chem 38: 1057-9 (1995)


Article DOI: 10.1021/jm00007a002
BindingDB Entry DOI: 10.7270/Q2DJ5DPP
More data for this
Ligand-Target Pair
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