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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 453.5
BDBM50092956
Purchase
Wt: 446.4
BDBM50157348
Wt: 459.5
BDBM50157350
Wt: 458.5
BDBM50157354
Wt: 446.5
BDBM50157363
Wt: 445.5
BDBM50157379
Wt: 466.5
BDBM50157392
Wt: 460.5
BDBM50157394
Wt: 460.5
BDBM50157397
Wt: 459.5
BDBM50157419
Wt: 431.5
BDBM50157420
Wt: 442.5
BDBM50157423
Wt: 456.5
BDBM50157424
Wt: 448.5
BDBM50157434
Wt: 470.7
BDBM50324813
Displayed 1 to 15 (of 120 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 22 hits in this display   
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)
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 30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(12-60)


J Med Chem 44: 4393-403 (2001)


Article DOI: 10.1021/jm0103108
BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2


(Homo sapiens)
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)


Article DOI: 10.1021/jm0002782
BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
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)


Article DOI: 10.1021/jm0002782
BindingDB Entry DOI: 10.7270/Q22Z14S7
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
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
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/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
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 antagonise the Leukocyte function-associated Antigen-1/ Intracellular Adhesion molecule-1 interaction (LFA-1/ICAM-1)


J Med Chem 44: 2913-20 (2001)


Article DOI: 10.1021/jm010059w
BindingDB Entry DOI: 10.7270/Q2PZ5831
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens)
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
Inhibition of intercellular adhesion molecule-1 (ICAM-1) binding to recombinant LFA-1, range(30-60)


J Med Chem 44: 4393-403 (2001)


Article DOI: 10.1021/jm0103108
BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
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



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157348
PNG
((R)-1-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoro...)
Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@@H](O)C1
Show InChI InChI=1S/C23H21F3N2O2S/c1-30-19-4-2-3-5-21(19)31-20-7-6-15(12-18(20)23(24,25)26)16-8-10-27-22(13-16)28-11-9-17(29)14-28/h2-8,10,12-13,17,29H,9,11,14H2,1H3/t17-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157350
PNG
(4-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C24H24F3N3OS/c1-16(2)18-5-3-4-6-21(18)32-22-8-7-17(13-19(22)24(25,26)27)20-14-23(29-15-28-20)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157354
PNG
(1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(O)C1
Show InChI InChI=1S/C25H25F3N2OS/c1-16(2)20-5-3-4-6-22(20)32-23-8-7-17(13-21(23)25(26,27)28)18-9-11-29-24(14-18)30-12-10-19(31)15-30/h3-9,11,13-14,16,19,31H,10,12,15H2,1-2H3
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n/an/a 93n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157397
PNG
(4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethy...)
Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(O)CC1
Show InChI InChI=1S/C24H23F3N2O2S/c1-31-20-4-2-3-5-22(20)32-21-7-6-16(14-19(21)24(25,26)27)17-8-11-28-23(15-17)29-12-9-18(30)10-13-29/h2-8,11,14-15,18,30H,9-10,12-13H2,1H3
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n/an/a 128n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157419
PNG
((R)-1-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluo...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CC[C@@H](O)C1
Show InChI InChI=1S/C24H24F3N3OS/c1-15(2)18-5-3-4-6-21(18)32-22-8-7-16(11-19(22)24(25,26)27)20-12-23(29-14-28-20)30-10-9-17(31)13-30/h3-8,11-12,14-15,17,31H,9-10,13H2,1-2H3/t17-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157423
PNG
(4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethy...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCCC1
Show InChI InChI=1S/C25H25F3N2S/c1-17(2)20-7-3-4-8-22(20)31-23-10-9-18(15-21(23)25(26,27)28)19-11-12-29-24(16-19)30-13-5-6-14-30/h3-4,7-12,15-17H,5-6,13-14H2,1-2H3
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n/an/a 250n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157350
PNG
(4-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C24H24F3N3OS/c1-16(2)18-5-3-4-6-21(18)32-22-8-7-17(13-19(22)24(25,26)27)20-14-23(29-15-28-20)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157394
PNG
(((R)-1-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluor...)
Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC[C@@H]1CO
Show InChI InChI=1S/C24H23F3N2O2S/c1-31-20-6-2-3-7-22(20)32-21-9-8-16(13-19(21)24(25,26)27)17-10-11-28-23(14-17)29-12-4-5-18(29)15-30/h2-3,6-11,13-14,18,30H,4-5,12,15H2,1H3/t18-/m1/s1
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n/an/a 331n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157420
PNG
(CHEMBL183770 | Ethyl-{6-[4-(2-isopropyl-phenylsulf...)
Show SMILES CCN(C)c1cc(ncn1)-c1ccc(Sc2ccccc2C(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3S/c1-5-29(4)22-13-19(27-14-28-22)16-10-11-21(18(12-16)23(24,25)26)30-20-9-7-6-8-17(20)15(2)3/h6-15H,5H2,1-4H3
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n/an/a 680n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157379
PNG
(CHEMBL426788 | Isopropyl-{6-[4-(2-isopropyl-phenyl...)
Show SMILES CC(C)N(C)c1cc(ncn1)-c1ccc(Sc2ccccc2C(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N3S/c1-15(2)18-8-6-7-9-21(18)31-22-11-10-17(12-19(22)24(25,26)27)20-13-23(29-14-28-20)30(5)16(3)4/h6-16H,1-5H3
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n/an/a 740n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157424
PNG
(4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCCCC1
Show InChI InChI=1S/C26H27F3N2S/c1-18(2)21-8-4-5-9-23(21)32-24-11-10-19(16-22(24)26(27,28)29)20-12-13-30-25(17-20)31-14-6-3-7-15-31/h4-5,8-13,16-18H,3,6-7,14-15H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50324813
PNG
((S)-3-amino-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,...)
Show SMILES NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C20H18Cl3N3O4/c21-12-3-1-10(2-4-12)19(28)26-6-5-13-11(9-26)7-14(22)16(17(13)23)18(27)25-15(8-24)20(29)30/h1-4,7,15H,5-6,8-9,24H2,(H,25,27)(H,29,30)/t15-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2010.06.145
BindingDB Entry DOI: 10.7270/Q2N58MKB
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157434
PNG
(4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1coc(n1)N1CCOCC1
Show InChI InChI=1S/C23H23F3N2O2S/c1-15(2)17-5-3-4-6-20(17)31-21-8-7-16(13-18(21)23(24,25)26)19-14-30-22(27-19)28-9-11-29-12-10-28/h3-8,13-15H,9-12H2,1-2H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157392
PNG
(CHEMBL182385 | {4-[4-(2-Isopropyl-phenylsulfanyl)-...)
Show SMILES COCCCNc1nc(cs1)-c1ccc(Sc2ccccc2C(C)C)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N2OS2/c1-15(2)17-7-4-5-8-20(17)31-21-10-9-16(13-18(21)23(24,25)26)19-14-30-22(28-19)27-11-6-12-29-3/h4-5,7-10,13-15H,6,11-12H2,1-3H3,(H,27,28)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair
Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50157363
PNG
(1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1coc(n1)N1CCCCC1
Show InChI InChI=1S/C24H25F3N2OS/c1-16(2)18-8-4-5-9-21(18)31-22-11-10-17(14-19(22)24(25,26)27)20-15-30-23(28-20)29-12-6-3-7-13-29/h4-5,8-11,14-16H,3,6-7,12-13H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2004.10.008
BindingDB Entry DOI: 10.7270/Q2KD1XFD
More data for this
Ligand-Target Pair