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PubMed code 11052808

Compile data set for download or QSAR
Found 75 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
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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n/an/a 35n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
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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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092953
PNG
(2-{4-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-propenyl]-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2C=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H21N3O5S/c1-16(27)23-10-12-24(13-11-23)22(28)9-7-17-6-8-21(19(14-17)25(29)30)31-20-5-3-2-4-18(20)15-26/h2-9,14-15H,10-13H2,1H3/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092912
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,4-dichloro-phe...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-8-10-25(11-9-24)21(28)7-3-15-2-5-20(18(12-15)26(29)30)31-19-6-4-16(22)13-17(19)23/h2-7,12-13H,8-11H2,1H3/b7-3+
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n/an/a 63n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092900
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-ethyl-phenylsu...)
Show SMILES CCc1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H25N3O4S/c1-3-19-6-4-5-7-21(19)31-22-10-8-18(16-20(22)26(29)30)9-11-23(28)25-14-12-24(13-15-25)17(2)27/h4-11,16H,3,12-15H2,1-2H3/b11-9+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092912
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,4-dichloro-phe...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-8-10-25(11-9-24)21(28)7-3-15-2-5-20(18(12-15)26(29)30)31-19-6-4-16(22)13-17(19)23/h2-7,12-13H,8-11H2,1H3/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092900
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-ethyl-phenylsu...)
Show SMILES CCc1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H25N3O4S/c1-3-19-6-4-5-7-21(19)31-22-10-8-18(16-20(22)26(29)30)9-11-23(28)25-14-12-24(13-15-25)17(2)27/h4-11,16H,3,12-15H2,1-2H3/b11-9+
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n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092928
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dichloro-phe...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2cccc(Cl)c2Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H19Cl2N3O4S/c1-14(27)24-9-11-25(12-10-24)20(28)8-6-15-5-7-18(17(13-15)26(29)30)31-19-4-2-3-16(22)21(19)23/h2-8,13H,9-12H2,1H3/b8-6+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092906
PNG
(3-{4-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1...)
Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C32H34ClN3O4S/c33-27-19-24(7-10-32(37)36-15-17-38-18-16-36)6-9-31(27)41-30-4-2-1-3-26(30)22-35-13-11-34(12-14-35)21-25-5-8-28-29(20-25)40-23-39-28/h1-10,19-20H,11-18,21-23H2/b10-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092895
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-chloro-phenyls...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H20ClN3O4S/c1-15(26)23-10-12-24(13-11-23)21(27)9-7-16-6-8-20(18(14-16)25(28)29)30-19-5-3-2-4-17(19)22/h2-9,14H,10-13H2,1H3/b9-7+
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n/an/a 110n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092916
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-(3-nitro-4-o-tolylsu...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H23N3O4S/c1-16-5-3-4-6-20(16)30-21-9-7-18(15-19(21)25(28)29)8-10-22(27)24-13-11-23(12-14-24)17(2)26/h3-10,15H,11-14H2,1-2H3/b10-8+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
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 block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092901
PNG
(3-[4-(2,4-Dichloro-phenylsulfanyl)-3-nitro-phenyl]...)
Show SMILES [O-][N+](=O)c1cc(\C=C\C(=O)NCCCN2CCCC2=O)ccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H21Cl2N3O4S/c23-16-6-8-19(17(24)14-16)32-20-7-4-15(13-18(20)27(30)31)5-9-21(28)25-10-2-12-26-11-1-3-22(26)29/h4-9,13-14H,1-3,10-12H2,(H,25,28)/b9-5+
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n/an/a 140n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092936
PNG
(CHEMBL131013 | [2-(2,4-Dichloro-phenylsulfanyl)-ph...)
Show SMILES Clc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H22Cl2N2OS/c20-15-6-7-18(16(21)14-15)25-19-5-2-1-4-17(19)22-8-3-9-23-10-12-24-13-11-23/h1-2,4-7,14,22H,3,8-13H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092893
PNG
(3-[3-Chloro-4-(2-morpholin-4-ylmethyl-phenylsulfan...)
Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1CN1CCOCC1
Show InChI InChI=1S/C24H27ClN2O3S/c25-21-17-19(6-8-24(28)27-11-15-30-16-12-27)5-7-23(21)31-22-4-2-1-3-20(22)18-26-9-13-29-14-10-26/h1-8,17H,9-16,18H2/b8-6+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092901
PNG
(3-[4-(2,4-Dichloro-phenylsulfanyl)-3-nitro-phenyl]...)
Show SMILES [O-][N+](=O)c1cc(\C=C\C(=O)NCCCN2CCCC2=O)ccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H21Cl2N3O4S/c23-16-6-8-19(17(24)14-16)32-20-7-4-15(13-18(20)27(30)31)5-9-21(28)25-10-2-12-26-11-1-3-22(26)29/h4-9,13-14H,1-3,10-12H2,(H,25,28)/b9-5+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092917
PNG
(3-{3-Chloro-4-[2-(3-morpholin-4-yl-propylamino)-ph...)
Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1NCCCN1CCOCC1
Show InChI InChI=1S/C26H32ClN3O3S/c27-22-20-21(7-9-26(31)30-14-18-33-19-15-30)6-8-24(22)34-25-5-2-1-4-23(25)28-10-3-11-29-12-16-32-17-13-29/h1-2,4-9,20,28H,3,10-19H2/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092892
PNG
(3-{3-Chloro-4-[2-(3-morpholin-4-yl-3-oxo-propenyl)...)
Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1\C=C\C(=O)N1CCOCC1
Show InChI InChI=1S/C26H27ClN2O4S/c27-22-19-20(6-9-25(30)28-11-15-32-16-12-28)5-8-24(22)34-23-4-2-1-3-21(23)7-10-26(31)29-13-17-33-18-14-29/h1-10,19H,11-18H2/b9-6+,10-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092892
PNG
(3-{3-Chloro-4-[2-(3-morpholin-4-yl-3-oxo-propenyl)...)
Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1\C=C\C(=O)N1CCOCC1
Show InChI InChI=1S/C26H27ClN2O4S/c27-22-19-20(6-9-25(30)28-11-15-32-16-12-28)5-8-24(22)34-23-4-2-1-3-21(23)7-10-26(31)29-13-17-33-18-14-29/h1-10,19H,11-18H2/b9-6+,10-7+
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n/an/a 190n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
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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n/an/a 240n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092910
PNG
(({2-[2-Chloro-4-(3-morpholin-4-yl-3-oxo-propenyl)-...)
Show SMILES CCOC(=O)CN(C)Cc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C25H29ClN2O4S/c1-3-32-25(30)18-27(2)17-20-6-4-5-7-22(20)33-23-10-8-19(16-21(23)26)9-11-24(29)28-12-14-31-15-13-28/h4-11,16H,3,12-15,17-18H2,1-2H3/b11-9+
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n/an/a 260n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092951
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-dimethylamino-...)
Show SMILES CN(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O4S/c1-17(28)25-12-14-26(15-13-25)23(29)11-9-18-8-10-22(20(16-18)27(30)31)32-21-7-5-4-6-19(21)24(2)3/h4-11,16H,12-15H2,1-3H3/b11-9+
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n/an/a 310n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092906
PNG
(3-{4-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1...)
Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1CN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C32H34ClN3O4S/c33-27-19-24(7-10-32(37)36-15-17-38-18-16-36)6-9-31(27)41-30-4-2-1-3-26(30)22-35-13-11-34(12-14-35)21-25-5-8-28-29(20-25)40-23-39-28/h1-10,19-20H,11-18,21-23H2/b10-7+
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n/an/a 360n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092955
PNG
(4-{2-[2-Chloro-4-(3-morpholin-4-yl-3-oxo-propenyl)...)
Show SMILES Clc1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccccc1CN1CCN(CC1)C=O
Show InChI InChI=1S/C25H28ClN3O3S/c26-22-17-20(6-8-25(31)29-13-15-32-16-14-29)5-7-24(22)33-23-4-2-1-3-21(23)18-27-9-11-28(19-30)12-10-27/h1-8,17,19H,9-16,18H2/b8-6+
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n/an/a 420n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
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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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092931
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-tert-butyl-phe...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2C(C)(C)C)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H29N3O4S/c1-18(29)26-13-15-27(16-14-26)24(30)12-10-19-9-11-23(21(17-19)28(31)32)33-22-8-6-5-7-20(22)25(2,3)4/h5-12,17H,13-16H2,1-4H3/b12-10+
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n/an/a 530n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
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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n/an/a 550n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092952
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES OCCCCCCNC(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C21H22Cl3NO2S/c22-16-7-9-20(18(24)14-16)28-19-8-5-15(13-17(19)23)6-10-21(27)25-11-3-1-2-4-12-26/h5-10,13-14,26H,1-4,11-12H2,(H,25,27)/b10-6+
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n/an/a 590n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092894
PNG
(2-(2,4-Dichloro-phenylsulfanyl)-5-(3-morpholin-4-y...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)cc2C=O)c(Cl)c1
Show InChI InChI=1S/C20H17Cl2NO3S/c21-16-3-5-19(17(22)12-16)27-18-4-1-14(11-15(18)13-24)2-6-20(25)23-7-9-26-10-8-23/h1-6,11-13H,7-10H2/b6-2+
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n/an/a 610n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092932
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-amino-phenylsu...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2N)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H22N4O4S/c1-15(26)23-10-12-24(13-11-23)21(27)9-7-16-6-8-20(18(14-16)25(28)29)30-19-5-3-2-4-17(19)22/h2-9,14H,10-13,22H2,1H3/b9-7+
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n/an/a 620n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092902
PNG
(3-[3-Bromo-4-(2,4-dichloro-phenylsulfanyl)-phenyl]...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)NCCCN3CCCC3=O)cc2Br)c(Cl)c1
Show InChI InChI=1S/C22H21BrCl2N2O2S/c23-17-13-15(4-7-19(17)30-20-8-6-16(24)14-18(20)25)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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n/an/a 650n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
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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n/an/a 700n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092909
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES OCCN(CCO)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl3NO3S/c20-14-3-5-18(16(22)12-14)27-17-4-1-13(11-15(17)21)2-6-19(26)23(7-9-24)8-10-25/h1-6,11-12,24-25H,7-10H2/b6-2+
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n/an/a 710n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092923
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)N3CCN(CC3)c3ccccn3)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C24H20Cl3N3OS/c25-18-6-8-22(20(27)16-18)32-21-7-4-17(15-19(21)26)5-9-24(31)30-13-11-29(12-14-30)23-3-1-2-10-28-23/h1-10,15-16H,11-14H2/b9-5+
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n/an/a 750n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092940
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES OCCNC(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl3NO2S/c18-12-3-5-16(14(20)10-12)24-15-4-1-11(9-13(15)19)2-6-17(23)21-7-8-22/h1-6,9-10,22H,7-8H2,(H,21,23)/b6-2+
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n/an/a 920n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092929
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(3-im...)
Show SMILES Clc1ccc(Sc2ccccc2\C=C\C(=O)NCCCn2ccnc2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N3OS/c22-17-7-8-20(18(23)14-17)28-19-5-2-1-4-16(19)6-9-21(27)25-10-3-12-26-13-11-24-15-26/h1-2,4-9,11,13-15H,3,10,12H2,(H,25,27)/b9-6+
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n/an/a 960n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
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 block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092921
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-1-morph...)
Show SMILES Clc1ccc(Sc2ccccc2\C=C\C(=O)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2NO2S/c20-15-6-7-18(16(21)13-15)25-17-4-2-1-3-14(17)5-8-19(23)22-9-11-24-12-10-22/h1-8,13H,9-12H2/b8-5+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092925
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)NCCCn3ccnc3)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C21H18Cl3N3OS/c22-16-4-6-20(18(24)13-16)29-19-5-2-15(12-17(19)23)3-7-21(28)26-8-1-10-27-11-9-25-14-27/h2-7,9,11-14H,1,8,10H2,(H,26,28)/b7-3+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092926
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-[3-(2...)
Show SMILES Clc1ccc(Sc2ccccc2\C=C\C(=O)NCCCN2CCCC2=O)c(Cl)c1
Show InChI InChI=1S/C22H22Cl2N2O2S/c23-17-9-10-20(18(24)15-17)29-19-6-2-1-5-16(19)8-11-21(27)25-12-4-14-26-13-3-7-22(26)28/h1-2,5-6,8-11,15H,3-4,7,12-14H2,(H,25,27)/b11-8+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092913
PNG
(3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenylami...)
Show SMILES Nc1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C12H8Cl3NS/c13-7-1-3-11(9(14)5-7)17-12-4-2-8(16)6-10(12)15/h1-6H,16H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against binding of LFA-1 to ICAM-1

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092939
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(tetr...)
Show SMILES Clc1ccc(Sc2ccccc2\C=C\C(=O)NCC2CCCO2)c(Cl)c1
Show InChI InChI=1S/C20H19Cl2NO2S/c21-15-8-9-19(17(22)12-15)26-18-6-2-1-4-14(18)7-10-20(24)23-13-16-5-3-11-25-16/h1-2,4,6-10,12,16H,3,5,11,13H2,(H,23,24)/b10-7+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092904
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(6-hy...)
Show SMILES OCCCCCCNC(=O)\C=C\c1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H23Cl2NO2S/c22-17-10-11-20(18(23)15-17)27-19-8-4-3-7-16(19)9-12-21(26)24-13-5-1-2-6-14-25/h3-4,7-12,15,25H,1-2,5-6,13-14H2,(H,24,26)/b12-9+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092949
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N,N-bis...)
Show SMILES OCCN(CCO)C(=O)\C=C\c1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2NO3S/c20-15-6-7-18(16(21)13-15)26-17-4-2-1-3-14(17)5-8-19(25)22(9-11-23)10-12-24/h1-8,13,23-24H,9-12H2/b8-5+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092934
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-acrylic...)
Show SMILES OC(=O)\C=C\c1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H10Cl2O2S/c16-11-6-7-14(12(17)9-11)20-13-4-2-1-3-10(13)5-8-15(18)19/h1-9H,(H,18,19)/b8-5+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092942
PNG
(3-[3-Chloro-4-(2,4-dichloro-phenylsulfanyl)-phenyl...)
Show SMILES OC(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C15H9Cl3O2S/c16-10-3-5-14(12(18)8-10)21-13-4-1-9(7-11(13)17)2-6-15(19)20/h1-8H,(H,19,20)/b6-2+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092914
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(2-hy...)
Show SMILES OCCNC(=O)\C=C\c1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H15Cl2NO2S/c18-13-6-7-16(14(19)11-13)23-15-4-2-1-3-12(15)5-8-17(22)20-9-10-21/h1-8,11,21H,9-10H2,(H,20,22)/b8-5+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092938
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(2,3-...)
Show SMILES OCC(O)CNC(=O)\C=C\c1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H17Cl2NO3S/c19-13-6-7-17(15(20)9-13)25-16-4-2-1-3-12(16)5-8-18(24)21-10-14(23)11-22/h1-9,14,22-23H,10-11H2,(H,21,24)/b8-5+
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n/an/a 3.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092907
PNG
(CHEMBL334414 | {3-[2-(2,4-Dichloro-phenylsulfanyl)...)
Show SMILES OC(=O)CNC(=O)\C=C\c1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H13Cl2NO3S/c18-12-6-7-15(13(19)9-12)24-14-4-2-1-3-11(14)5-8-16(21)20-10-17(22)23/h1-9H,10H2,(H,20,21)(H,22,23)/b8-5+
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n/an/a 3.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092919
PNG
(3-[3-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-[3-(2...)
Show SMILES Clc1ccc(Sc2cccc(\C=C\C(=O)NCCCN3CCCC3=O)c2)c(Cl)c1
Show InChI InChI=1S/C22H22Cl2N2O2S/c23-17-8-9-20(19(24)15-17)29-18-5-1-4-16(14-18)7-10-21(27)25-11-3-13-26-12-2-6-22(26)28/h1,4-5,7-10,14-15H,2-3,6,11-13H2,(H,25,27)/b10-7+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092921
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-1-morph...)
Show SMILES Clc1ccc(Sc2ccccc2\C=C\C(=O)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2NO2S/c20-15-6-7-18(16(21)13-15)25-17-4-2-1-3-14(17)5-8-19(23)22-9-11-24-12-10-22/h1-8,13H,9-12H2/b8-5+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its ability to block the adherence of JY-8 cells to immobilized ICAM-1.

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092946
PNG
(CHEMBL335937 | N'-[2-(2,4-Dichloro-phenylsulfanyl)...)
Show SMILES CN(C)CCNCc1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H20Cl2N2S/c1-21(2)10-9-20-12-13-5-3-4-6-16(13)22-17-8-7-14(18)11-15(17)19/h3-8,11,20H,9-10,12H2,1-2H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092922
PNG
(3-[3-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(3-im...)
Show SMILES Clc1ccc(Sc2cccc(\C=C\C(=O)NCCCn3ccnc3)c2)c(Cl)c1
Show InChI InChI=1S/C21H19Cl2N3OS/c22-17-6-7-20(19(23)14-17)28-18-4-1-3-16(13-18)5-8-21(27)25-9-2-11-26-12-10-24-15-26/h1,3-8,10,12-15H,2,9,11H2,(H,25,27)/b8-5+
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n/an/a 7.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092899
PNG
(3-[3-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(6-hy...)
Show SMILES OCCCCCCNC(=O)\C=C\c1cccc(Sc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C21H23Cl2NO2S/c22-17-9-10-20(19(23)15-17)27-18-7-5-6-16(14-18)8-11-21(26)24-12-3-1-2-4-13-25/h5-11,14-15,25H,1-4,12-13H2,(H,24,26)/b11-8+
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n/an/a 9.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092948
PNG
(CHEMBL334396 | N-[2-(2,4-Dichloro-phenylsulfanyl)-...)
Show SMILES Clc1ccc(Sc2ccccc2NC(=O)CCN2CCCC2)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N2OS/c20-14-7-8-17(15(21)13-14)25-18-6-2-1-5-16(18)22-19(24)9-12-23-10-3-4-11-23/h1-2,5-8,13H,3-4,9-12H2,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092950
PNG
(CHEMBL338062 | N-[2-(2,4-Dichloro-phenylsulfanyl)-...)
Show SMILES Clc1ccc(Sc2ccccc2NC(=O)CCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C19H20Cl2N2O2S/c20-14-5-6-17(15(21)13-14)26-18-4-2-1-3-16(18)22-19(24)7-8-23-9-11-25-12-10-23/h1-6,13H,7-12H2,(H,22,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092924
PNG
(3-[3-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N,N-bis...)
Show SMILES OCCN(CCO)C(=O)\C=C\c1cccc(Sc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C19H19Cl2NO3S/c20-15-5-6-18(17(21)13-15)26-16-3-1-2-14(12-16)4-7-19(25)22(8-10-23)9-11-24/h1-7,12-13,23-24H,8-11H2/b7-4+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092947
PNG
(3-[4-(2,4-Dichloro-phenylsulfanyl)-3-(3-morpholin-...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)NCCCN3CCCC3=O)cc2NCCCN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C29H36Cl2N4O3S/c30-23-7-9-26(24(31)21-23)39-27-8-5-22(20-25(27)32-11-2-13-34-16-18-38-19-17-34)6-10-28(36)33-12-3-15-35-14-1-4-29(35)37/h5-10,20-21,32H,1-4,11-19H2,(H,33,36)/b10-6+
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n/an/a 1.55E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092944
PNG
(2-{4-[3-(4-Acetyl-piperazin-1-yl)-3-oxo-propenyl]-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccccc2C(N)=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N4O5S/c1-15(27)24-10-12-25(13-11-24)21(28)9-7-16-6-8-20(18(14-16)26(30)31)32-19-5-3-2-4-17(19)22(23)29/h2-9,14H,10-13H2,1H3,(H2,23,29)/b9-7+
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n/an/a 1.62E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092937
PNG
(3-[3-(2,4-Dichloro-phenylsulfanyl)-phenyl]-1-morph...)
Show SMILES Clc1ccc(Sc2cccc(\C=C\C(=O)N3CCOCC3)c2)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2NO2S/c20-15-5-6-18(17(21)13-15)25-16-3-1-2-14(12-16)4-7-19(23)22-8-10-24-11-9-22/h1-7,12-13H,8-11H2/b7-4+
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n/an/a 1.65E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092918
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,4-dichloro-phe...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc(Cl)cc2Cl)c(\C=C\C(=O)N2CCOCC2)c1
Show InChI InChI=1S/C28H29Cl2N3O4S/c1-20(34)31-10-12-32(13-11-31)27(35)8-3-21-2-6-25(38-26-7-5-23(29)19-24(26)30)22(18-21)4-9-28(36)33-14-16-37-17-15-33/h2-9,18-19H,10-17H2,1H3/b8-3+,9-4+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092905
PNG
(3-[3-Amino-4-(2,4-dichloro-phenylsulfanyl)-phenyl]...)
Show SMILES Nc1cc(\C=C\C(=O)NCCCN2CCCC2=O)ccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H23Cl2N3O2S/c23-16-6-8-19(17(24)14-16)30-20-7-4-15(13-18(20)25)5-9-21(28)26-10-2-12-27-11-1-3-22(27)29/h4-9,13-14H,1-3,10-12,25H2,(H,26,28)/b9-5+
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n/an/a 1.90E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092920
PNG
(3-[4-(2,4-Dichloro-phenylsulfanyl)-3-(3-morpholin-...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)NCCCN3CCCC3=O)cc2\C=C\C(=O)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C29H31Cl2N3O4S/c30-23-7-9-26(24(31)20-23)39-25-8-4-21(19-22(25)6-11-29(37)34-15-17-38-18-16-34)5-10-27(35)32-12-2-14-33-13-1-3-28(33)36/h4-11,19-20H,1-3,12-18H2,(H,32,35)/b10-5+,11-6+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092898
PNG
(2-(2,4-Dichloro-phenylsulfanyl)-5-(3-morpholin-4-y...)
Show SMILES OC(=O)c1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H17Cl2NO4S/c21-14-3-5-18(16(22)12-14)28-17-4-1-13(11-15(17)20(25)26)2-6-19(24)23-7-9-27-10-8-23/h1-6,11-12H,7-10H2,(H,25,26)/b6-2+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092911
PNG
(2-(2,4-Dichloro-phenylsulfanyl)-5-(3-morpholin-4-y...)
Show SMILES NC(=O)c1cc(\C=C\C(=O)N2CCOCC2)ccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H18Cl2N2O3S/c21-14-3-5-18(16(22)12-14)28-17-4-1-13(11-15(17)20(23)26)2-6-19(25)24-7-9-27-10-8-24/h1-6,11-12H,7-10H2,(H2,23,26)/b6-2+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092935
PNG
(3-[4-(2,4-Dichloro-phenylsulfanyl)-3-(3-morpholin-...)
Show SMILES Clc1ccc(Sc2ccc(\C=C\C(=O)N3CCOCC3)cc2\C=C\C(=O)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C26H26Cl2N2O4S/c27-21-4-6-24(22(28)18-21)35-23-5-1-19(2-7-25(31)29-9-13-33-14-10-29)17-20(23)3-8-26(32)30-11-15-34-16-12-30/h1-8,17-18H,9-16H2/b7-2+,8-3+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092945
PNG
(CHEMBL27194 | [2-(2-Chloro-phenothiazin-10-yl)-eth...)
Show SMILES CN(C)CCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C16H17ClN2S/c1-18(2)9-10-19-13-5-3-4-6-15(13)20-16-8-7-12(17)11-14(16)19/h3-8,11H,9-10H2,1-2H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against binding of LFA-1 to ICAM-1

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092903
PNG
(CHEMBL130418 | N-[2-(2,4-Dichloro-phenylsulfanyl)-...)
Show SMILES CN1CCN(CCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C20H23Cl2N3OS/c1-24-10-12-25(13-11-24)9-8-20(26)23-17-4-2-3-5-19(17)27-18-7-6-15(21)14-16(18)22/h2-7,14H,8-13H2,1H3,(H,23,26)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092933
PNG
(CHEMBL133411 | N-[2-(2,4-Dichloro-phenylsulfanyl)-...)
Show SMILES CCCN(CCC)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H26Cl2N2OS/c1-3-12-25(13-4-2)14-11-21(26)24-18-7-5-6-8-20(18)27-19-10-9-16(22)15-17(19)23/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,26)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092908
PNG
(CHEMBL130311 | N-[2-(2,4-Dichloro-phenylsulfanyl)-...)
Show SMILES CN(C)CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H18Cl2N2OS/c1-21(2)10-9-17(22)20-14-5-3-4-6-16(14)23-15-8-7-12(18)11-13(15)19/h3-8,11H,9-10H2,1-2H3,(H,20,22)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092904
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(6-hy...)
Show SMILES OCCCCCCNC(=O)\C=C\c1ccccc1Sc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H23Cl2NO2S/c22-17-10-11-20(18(23)15-17)27-19-8-4-3-7-16(19)9-12-21(26)24-13-5-1-2-6-14-25/h3-4,7-12,15,25H,1-2,5-6,13-14H2,(H,24,26)/b12-9+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092954
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-phene...)
Show SMILES Clc1ccc(Sc2ccccc2\C=C\C(=O)NCCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C23H19Cl2NOS/c24-19-11-12-22(20(25)16-19)28-21-9-5-4-8-18(21)10-13-23(27)26-15-14-17-6-2-1-3-7-17/h1-13,16H,14-15H2,(H,26,27)/b13-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092896
PNG
(CHEMBL422262 | N-Benzyl-3-[2-(2,4-dichloro-phenyls...)
Show SMILES Clc1ccc(Sc2ccccc2\C=C\C(=O)N(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)c(Cl)c1
Show InChI InChI=1S/C35H27Cl2NO2S/c36-29-18-21-34(32(37)23-29)41-33-14-8-7-11-28(33)17-22-35(39)38(24-26-9-3-1-4-10-26)25-27-15-19-31(20-16-27)40-30-12-5-2-6-13-30/h1-23H,24-25H2/b22-17+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092927
PNG
(3-(Benzyl-methyl-amino)-N-[2-(2,4-dichloro-phenyls...)
Show SMILES CN(CCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1Cl)Cc1ccccc1
Show InChI InChI=1S/C23H22Cl2N2OS/c1-27(16-17-7-3-2-4-8-17)14-13-23(28)26-20-9-5-6-10-22(20)29-21-12-11-18(24)15-19(21)25/h2-12,15H,13-14,16H2,1H3,(H,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))		BDBM50092915
PNG
(3-[2-(2,4-Dichloro-phenylsulfanyl)-phenyl]-N-(4-me...)
Show SMILES Cc1cccc2sc(NC(=O)\C=C\c3ccccc3Sc3ccc(Cl)cc3Cl)nc12
Show InChI InChI=1S/C23H16Cl2N2OS2/c1-14-5-4-8-20-22(14)27-23(30-20)26-21(28)12-9-15-6-2-3-7-18(15)29-19-11-10-16(24)13-17(19)25/h2-13H,1H3,(H,26,27,28)/b12-9+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical inter...

J Med Chem 43: 4025-40 (2000)


BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%