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PubMed code 11520199

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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/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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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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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))		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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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))		BDBM50103305
PNG
(1-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCCC(C2)C(O)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H26N2O5S/c1-16(2)19-7-3-4-8-21(19)32-22-11-9-17(14-20(22)26(30)31)10-12-23(27)25-13-5-6-18(15-25)24(28)29/h3-4,7-12,14,16,18H,5-6,13,15H2,1-2H3,(H,28,29)/b12-10+
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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))		BDBM50103295
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(c1)C(F)(F)F
Show InChI InChI=1S/C24H22F3NO5S/c25-24(26,27)18-13-15(2-6-22(29)28-9-7-16(8-10-28)23(30)31)1-5-21(18)34-17-3-4-19-20(14-17)33-12-11-32-19/h1-6,13-14,16H,7-12H2,(H,30,31)/b6-2+
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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))		BDBM50103288
PNG
(1-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H26N2O5S/c1-16(2)19-5-3-4-6-21(19)32-22-9-7-17(15-20(22)26(30)31)8-10-23(27)25-13-11-18(12-14-25)24(28)29/h3-10,15-16,18H,11-14H2,1-2H3,(H,28,29)/b10-8+
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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))		BDBM50092956
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-phen...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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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))		BDBM50103291
PNG
(4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES COC(=O)C1CN(CCN1C)C(=O)\C=C\c1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H29N3O5S/c1-17(2)19-7-5-6-8-22(19)34-23-11-9-18(15-20(23)28(31)32)10-12-24(29)27-14-13-26(3)21(16-27)25(30)33-4/h5-12,15,17,21H,13-14,16H2,1-4H3/b12-10+
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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))		BDBM50103297
PNG
(1-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-3-[4-(2-iso...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC3(CC2)OCCO3)cc1[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O5S/c1-18(2)20-5-3-4-6-22(20)33-23-9-7-19(17-21(23)27(29)30)8-10-24(28)26-13-11-25(12-14-26)31-15-16-32-25/h3-10,17-18H,11-16H2,1-2H3/b10-8+
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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))		BDBM50103301
PNG
(1-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(=O)CC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H24N2O4S/c1-16(2)19-5-3-4-6-21(19)30-22-9-7-17(15-20(22)25(28)29)8-10-23(27)24-13-11-18(26)12-14-24/h3-10,15-16H,11-14H2,1-2H3/b10-8+
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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))		BDBM50103294
PNG
(4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES COC(=O)C1CN(CCN1)C(=O)\C=C\c1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H27N3O5S/c1-16(2)18-6-4-5-7-21(18)33-22-10-8-17(14-20(22)27(30)31)9-11-23(28)26-13-12-25-19(15-26)24(29)32-3/h4-11,14,16,19,25H,12-13,15H2,1-3H3/b11-9+
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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))		BDBM50103298
PNG
(3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-phenyl]-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccncc2)cc1[N+]([O-])=O
Show InChI InChI=1S/C28H28N4O4S/c1-20(2)23-5-3-4-6-25(23)37-26-9-7-21(19-24(26)32(35)36)8-10-27(33)30-15-17-31(18-16-30)28(34)22-11-13-29-14-12-22/h3-14,19-20H,15-18H2,1-2H3/b10-8+
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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))		BDBM50103307
PNG
(4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCNC(C2)C(=O)N(C)C)cc1[N+]([O-])=O
Show InChI InChI=1S/C25H30N4O4S/c1-17(2)19-7-5-6-8-22(19)34-23-11-9-18(15-21(23)29(32)33)10-12-24(30)28-14-13-26-20(16-28)25(31)27(3)4/h5-12,15,17,20,26H,13-14,16H2,1-4H3/b12-10+
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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))		BDBM50103299
PNG
(1-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)S(O)(=O)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H26N2O6S2/c1-16(2)19-5-3-4-6-21(19)32-22-9-7-17(15-20(22)25(27)28)8-10-23(26)24-13-11-18(12-14-24)33(29,30)31/h3-10,15-16,18H,11-14H2,1-2H3,(H,29,30,31)/b10-8+
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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))		BDBM50103290
PNG
(1-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CC=CC2C(O)=O)cc1C(F)(F)F |c:21|
Show InChI InChI=1S/C24H22F3NO3S/c1-15(2)17-6-3-4-8-20(17)32-21-11-9-16(14-18(21)24(25,26)27)10-12-22(29)28-13-5-7-19(28)23(30)31/h3-12,14-15,19H,13H2,1-2H3,(H,30,31)/b12-10+
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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))		BDBM50103293
PNG
(3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-phenyl]-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(C)CC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H27N3O3S/c1-17(2)19-6-4-5-7-21(19)30-22-10-8-18(16-20(22)26(28)29)9-11-23(27)25-14-12-24(3)13-15-25/h4-11,16-17H,12-15H2,1-3H3/b11-9+
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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))		BDBM50103303
PNG
(4-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES COC(=O)N1CCN(C(C1)C(O)=O)C(=O)\C=C\c1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H27N3O7S/c1-16(2)18-6-4-5-7-21(18)36-22-10-8-17(14-19(22)28(33)34)9-11-23(29)27-13-12-26(25(32)35-3)15-20(27)24(30)31/h4-11,14,16,20H,12-13,15H2,1-3H3,(H,30,31)/b11-9+
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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))		BDBM50092943
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,4-dic...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C21H19Cl3N2O2S/c1-14(27)25-8-10-26(11-9-25)21(28)7-3-15-2-5-19(17(23)12-15)29-20-6-4-16(22)13-18(20)24/h2-7,12-13H,8-11H2,1H3/b7-3+
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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))		BDBM50103306
PNG
(1-(3-Hydroxymethyl-piperazin-1-yl)-3-[4-(2-isoprop...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCNC(CO)C2)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H27N3O4S/c1-16(2)19-5-3-4-6-21(19)31-22-9-7-17(13-20(22)26(29)30)8-10-23(28)25-12-11-24-18(14-25)15-27/h3-10,13,16,18,24,27H,11-12,14-15H2,1-2H3/b10-8+
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n/an/a 280n/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))		BDBM50103292
PNG
(1-{3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-pheny...)
Show SMILES COC(=O)C1CNCCN1C(=O)\C=C\c1ccc(Sc2ccccc2C(C)C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H27N3O5S/c1-16(2)18-6-4-5-7-21(18)33-22-10-8-17(14-19(22)27(30)31)9-11-23(28)26-13-12-25-15-20(26)24(29)32-3/h4-11,14,16,20,25H,12-13,15H2,1-3H3/b11-9+
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n/an/a 340n/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))		BDBM50103289
PNG
(3-[4-(2-Isopropyl-phenylsulfanyl)-3-nitro-phenyl]-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCNCC2)cc1[N+]([O-])=O
Show InChI InChI=1S/C22H25N3O3S/c1-16(2)18-5-3-4-6-20(18)29-21-9-7-17(15-19(21)25(27)28)8-10-22(26)24-13-11-23-12-14-24/h3-10,15-16,23H,11-14H2,1-2H3/b10-8+
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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))		BDBM50092941
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H16Cl3NO2S/c20-14-3-5-18(16(22)12-14)26-17-4-1-13(11-15(17)21)2-6-19(24)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2/b6-2+
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n/an/a 460n/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))		BDBM50092897
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)NCCCN3CCCC3=O)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C22H21Cl3N2O2S/c23-16-6-8-20(18(25)14-16)30-19-7-4-15(13-17(19)24)5-9-21(28)26-10-2-12-27-11-1-3-22(27)29/h4-9,13-14H,1-3,10-12H2,(H,26,28)/b9-5+
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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))		BDBM50103300
PNG
(1-Acetyl-4-{3-[4-(2-isopropyl-phenylsulfanyl)-3-ni...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(C(C2)C(O)=O)C(C)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C25H27N3O6S/c1-16(2)19-6-4-5-7-22(19)35-23-10-8-18(14-20(23)28(33)34)9-11-24(30)26-12-13-27(17(3)29)21(15-26)25(31)32/h4-11,14,16,21H,12-13,15H2,1-3H3,(H,31,32)/b11-9+
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n/an/a 680n/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))		BDBM50092930
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES CN1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C20H19Cl3N2OS/c1-24-8-10-25(11-9-24)20(26)7-3-14-2-5-18(16(22)12-14)27-19-6-4-15(21)13-17(19)23/h2-7,12-13H,8-11H2,1H3/b7-3+
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n/an/a 1.10E+3n/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
* indicates data uncertainty>20%