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Compile Data Set for Download or QSAR

Found 116 hits of ic50 for UniProtKB: P05107   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107174
PNG
(1-{3-[4-(2-Methoxy-phenylsulfanyl)-2,3-bis-trifluo...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F6NO4S/c1-35-16-4-2-3-5-17(16)36-18-8-6-14(20(23(25,26)27)21(18)24(28,29)30)7-9-19(32)31-12-10-15(11-13-31)22(33)34/h2-9,15H,10-13H2,1H3,(H,33,34)/b9-7+
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n/an/a 0.100n/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(2-8)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50550223
PNG
(CHEMBL4794300)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(O)=O)CC2=O)cc1
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n/an/a 0.390n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at alphaLbeta2 in human Jurkat E6.1 cells assessed as reduction in cell adhesion to ICAM1 pre-incubated for 30 mins before ICAM1 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107168
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(c1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H21F6NO5S/c26-24(27,28)21-14(2-6-20(33)32-9-7-15(8-10-32)23(34)35)1-5-19(22(21)25(29,30)31)38-16-3-4-17-18(13-16)37-12-11-36-17/h1-6,13,15H,7-12H2,(H,34,35)/b6-2+
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n/an/a 0.5n/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(0.03-0.5)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50074661
PNG
((S)-1-{(S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1
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n/an/a 0.840n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at alphaLbeta2 in human Jurkat E6.1 cells assessed as reduction in cell adhesion to ICAM1 pre-incubated for 30 mins before ICAM1 ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2154MPK
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333919
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)o1 |r|
Show InChI InChI=1S/C27H22Cl2N2O8S/c1-40(36,37)22-5-4-17(39-22)12-20(27(34)35)30-25(32)23-19(28)10-16-13-31(8-6-18(16)24(23)29)26(33)15-3-2-14-7-9-38-21(14)11-15/h2-5,7,9-11,20H,6,8,12-13H2,1H3,(H,30,32)(H,34,35)/t20-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107166
PNG
(1-{3-[3-Chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1C(F)(F)F
Show InChI InChI=1S/C24H21ClF3NO5S/c25-22-19(35-16-3-4-17-18(13-16)34-12-11-33-17)5-1-14(21(22)24(26,27)28)2-6-20(30)29-9-7-15(8-10-29)23(31)32/h1-6,13,15H,7-12H2,(H,31,32)/b6-2+
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n/an/a 2n/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 (2-2)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107173
PNG
(1-{3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trif...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(c1Cl)C(F)(F)F
Show InChI InChI=1S/C23H21ClF3NO4S/c1-32-16-4-2-3-5-17(16)33-18-8-6-14(20(21(18)24)23(25,26)27)7-9-19(29)28-12-10-15(11-13-28)22(30)31/h2-9,15H,10-13H2,1H3,(H,30,31)/b9-7+
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n/an/a 4n/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 (2-9)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107176
PNG
(1-{3-[2,3-Dichloro-4-(1-methyl-1H-indol-5-ylsulfan...)
Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(Cl)c3Cl)ccc12
Show InChI InChI=1S/C24H22Cl2N2O3S/c1-27-11-8-17-14-18(4-5-19(17)27)32-20-6-2-15(22(25)23(20)26)3-7-21(29)28-12-9-16(10-13-28)24(30)31/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,30,31)/b7-3+
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n/an/a 4n/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 (1-10)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107169
PNG
(1-{3-[4-(1-Methyl-1H-indol-5-ylsulfanyl)-2,3-bis-t...)
Show SMILES Cn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCC(CC4)C(O)=O)c(c3C(F)(F)F)C(F)(F)F)ccc12
Show InChI InChI=1S/C26H22F6N2O3S/c1-33-11-8-17-14-18(4-5-19(17)33)38-20-6-2-15(22(25(27,28)29)23(20)26(30,31)32)3-7-21(35)34-12-9-16(10-13-34)24(36)37/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,36,37)/b7-3+
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n/an/a 5n/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(3-10)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333915
PNG
((S)-2-(2-(benzofuran-2-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2cc3ccccc3o2)C(O)=O)nn1 |r|
Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-17(31-32-34)11-20(27(37)38)30-25(35)23-19(28)9-16-12-33(8-7-18(16)24(23)29)26(36)22-10-15-5-3-4-6-21(15)39-22/h3-6,9-10,13-14,20H,7-8,11-12H2,1-2H3,(H,30,35)(H,37,38)/t20-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107162
PNG
(3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-2-trifluo...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(c1Cl)C(F)(F)F
Show InChI InChI=1S/C21H19ClF3NO3S/c1-28-15-4-2-3-5-16(15)30-17-8-6-14(19(20(17)22)21(23,24)25)7-9-18(27)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (3-10)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50324822
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc2ccoc2c1 |r|
Show InChI InChI=1S/C27H21Cl2N3O6S/c28-18-10-16-13-32(26(35)15-4-3-14-6-8-38-20(14)11-15)7-5-17(16)23(29)22(18)25(34)31-19(27(36)37)12-30-24(33)21-2-1-9-39-21/h1-4,6,8-11,19H,5,7,12-13H2,(H,30,33)(H,31,34)(H,36,37)/t19-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107181
PNG
(1-{3-[2,3-Dichloro-4-(2-isopropyl-phenylsulfanyl)-...)
Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C24H25Cl2NO3S/c1-15(2)18-5-3-4-6-19(18)31-20-9-7-16(22(25)23(20)26)8-10-21(28)27-13-11-17(12-14-27)24(29)30/h3-10,15,17H,11-14H2,1-2H3,(H,29,30)/b10-8+
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n/an/a 6n/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 (3-18)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107167
PNG
(1-{3-[2,3-Dichloro-4-(2,3-dihydro-benzo[1,4]dioxin...)
Show SMILES OC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl
Show InChI InChI=1S/C23H21Cl2NO5S/c24-21-14(2-6-20(27)26-9-7-15(8-10-26)23(28)29)1-5-19(22(21)25)32-16-3-4-17-18(13-16)31-12-11-30-17/h1-6,13,15H,7-12H2,(H,28,29)/b6-2+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (2-9)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107164
PNG
(3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-pheny...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)c(Cl)c1Cl
Show InChI InChI=1S/C20H19Cl2NO3S/c1-25-15-4-2-3-5-16(15)27-17-8-6-14(19(21)20(17)22)7-9-18(24)23-10-12-26-13-11-23/h2-9H,10-13H2,1H3/b9-7+
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n/an/a 6n/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

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333917
PNG
((S)-2-(5,7-dichloro-2-(pyrazolo[1,5-a]pyridine-2-c...)
Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2cc3ccccn3n2)C(O)=O)nn1 |r|
Show InChI InChI=1S/C26H25Cl2N7O4/c1-14(2)35-13-16(30-32-35)10-21(26(38)39)29-24(36)22-19(27)9-15-12-33(8-6-18(15)23(22)28)25(37)20-11-17-5-3-4-7-34(17)31-20/h3-5,7,9,11,13-14,21H,6,8,10,12H2,1-2H3,(H,29,36)(H,38,39)/t21-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107161
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[2,3-dichloro-4-(2,3...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1Cl
Show InChI InChI=1S/C23H22Cl2N2O4S/c1-15(28)26-8-10-27(11-9-26)21(29)7-3-16-2-6-20(23(25)22(16)24)32-17-4-5-18-19(14-17)31-13-12-30-18/h2-7,14H,8-13H2,1H3/b7-3+
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n/an/a 8n/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 (6-10)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107171
PNG
(1-{3-[2,3-Dichloro-4-(2-methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCC(CC2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C22H21Cl2NO4S/c1-29-16-4-2-3-5-17(16)30-18-8-6-14(20(23)21(18)24)7-9-19(26)25-12-10-15(11-13-25)22(27)28/h2-9,15H,10-13H2,1H3,(H,27,28)/b9-7+
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n/an/a 8n/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 (2-30)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333916
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)nn1 |r|
Show InChI InChI=1S/C27H25Cl2N5O5/c1-14(2)34-13-18(31-32-34)11-21(27(37)38)30-25(35)23-20(28)9-17-12-33(7-5-19(17)24(23)29)26(36)16-4-3-15-6-8-39-22(15)10-16/h3-4,6,8-10,13-14,21H,5,7,11-12H2,1-2H3,(H,30,35)(H,37,38)/t21-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098771
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1-methy...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3n(C)ccc3c2)c(Cl)c1
Show InChI InChI=1S/C24H24ClN3O2S/c1-17(29)27-11-13-28(14-12-27)24(30)8-4-18-3-7-23(21(25)15-18)31-20-5-6-22-19(16-20)9-10-26(22)2/h3-10,15-16H,11-14H2,1-2H3/b8-4+
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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)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098760
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1H-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3[nH]ccc3c2)c(Cl)c1
Show InChI InChI=1S/C23H22ClN3O2S/c1-16(28)26-10-12-27(13-11-26)23(29)7-3-17-2-6-22(20(24)14-17)30-19-4-5-21-18(15-19)8-9-25-21/h2-9,14-15,25H,10-13H2,1H3/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (20-30)

J Med Chem 44: 1202-10 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098759
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2-hydro...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OC(CO)COc3c2)c(Cl)c1
Show InChI InChI=1S/C24H25ClN2O5S/c1-16(29)26-8-10-27(11-9-26)24(30)7-3-17-2-6-23(20(25)12-17)33-19-4-5-21-22(13-19)31-15-18(14-28)32-21/h2-7,12-13,18,28H,8-11,14-15H2,1H3/b7-3+
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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)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098760
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1H-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3[nH]ccc3c2)c(Cl)c1
Show InChI InChI=1S/C23H22ClN3O2S/c1-16(28)26-10-12-27(13-11-26)23(29)7-3-17-2-6-22(20(24)14-17)30-19-4-5-21-18(15-19)8-9-25-21/h2-9,14-15,25H,10-13H2,1H3/b7-3+
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Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Leukocyte function associated antigen 1 (LFA-1)

J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50324812
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES OC(=O)[C@H](CNC(=O)c1cccs1)NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H20Cl3N3O5S/c26-15-5-3-13(4-6-15)24(34)31-8-7-16-14(12-31)10-17(27)20(21(16)28)23(33)30-18(25(35)36)11-29-22(32)19-2-1-9-37-19/h1-6,9-10,18H,7-8,11-12H2,(H,29,32)(H,30,33)(H,35,36)/t18-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333904
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES Cc1ccc2n(cc(C(=O)NC[C@H](NC(=O)c3c(Cl)cc4CN(CCc4c3Cl)C(=O)c3ccc(Cl)cc3)C(O)=O)c2c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-3-8-25-21(11-16)22(15-38(25)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)26-23(33)12-18-14-37(10-9-20(18)27(26)34)30(41)17-4-6-19(32)7-5-17/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50154496
PNG
((R)-5-(4-Bromo-benzyl)-3-(3,5-dichloro-phenyl)-1,5...)
Show SMILES CN1C(=O)N(C(=O)[C@@]1(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay

Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(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 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)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333918
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CS(=O)(=O)c1ncc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)[nH]1 |r|
Show InChI InChI=1S/C26H22Cl2N4O7S/c1-40(37,38)26-29-11-16(30-26)10-19(25(35)36)31-23(33)21-18(27)8-15-12-32(6-4-17(15)22(21)28)24(34)14-3-2-13-5-7-39-20(13)9-14/h2-3,5,7-9,11,19H,4,6,10,12H2,1H3,(H,29,30)(H,31,33)(H,35,36)/t19-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333905
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES Cc1ccc2c(cn(c2c1)S(C)(=O)=O)C(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-3-8-21-22(15-38(25(21)11-16)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)26-23(33)12-18-14-37(10-9-20(18)27(26)34)30(41)17-4-6-19(32)7-5-17/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107182
PNG
(3-[3-Chloro-4-(2-methoxy-phenylsulfanyl)-phenyl]-1...)
Show SMILES COc1ccccc1Sc1ccc(\C=C\C(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C20H20ClNO3S/c1-24-17-4-2-3-5-19(17)26-18-8-6-15(14-16(18)21)7-9-20(23)22-10-12-25-13-11-22/h2-9,14H,10-13H2,1H3/b9-7+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (6-100)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098770
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1
Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (30-60)

J Med Chem 44: 1202-10 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098770
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1
Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+
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Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Leukocyte function associated antigen 1 (LFA-1)

J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50149226
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-...)
Show SMILES CC(C)c1ccccc1SC1CC=C(\C=C\C(=O)N2CCN(CC2)C(C)=O)C=C1[N+]([O-])=O |c:29,t:13|
Show InChI InChI=1S/C24H29N3O4S/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/h4-9,11,16-17,23H,10,12-15H2,1-3H3/b11-9+
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Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Leukocyte function associated antigen 1 (LFA-1)

J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(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
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1

J Med Chem 44: 1202-10 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50537999
PNG
(CHEMBL4634420)
Show SMILES [H][C@]12C(C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@H](CC(=O)NC)N(Cc2ccc(O)c(OC)c2)C(=O)O1)OC(=O)[C@@H](C)CC |r,c:6,9|
Show InChI InChI=1S/C34H48N2O7/c1-7-21(3)33(39)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(38)35-5)36(34(40)42-26)19-23-9-13-28(37)29(16-23)41-6/h8-10,13-14,16,20-22,25-27,30,32,37H,7,11-12,15,17-19H2,1-6H3,(H,35,38)/t20-,21-,22-,25+,26+,27-,30?,32-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Pliant Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human integrin alphaL beta2 assessed as reduction in integrin alphaL beta2/ICAM1 protein-protein interaction by ELISA

J Med Chem 63: 5675-5696 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01869
BindingDB Entry DOI: 10.7270/Q2DR302Z
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333911
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)nn1 |r|
Show InChI InChI=1S/C25H24Cl3N5O4/c1-13(2)33-12-17(30-31-33)10-20(25(36)37)29-23(34)21-19(27)9-15-11-32(8-7-18(15)22(21)28)24(35)14-3-5-16(26)6-4-14/h3-6,9,12-13,20H,7-8,10-11H2,1-2H3,(H,29,34)(H,36,37)/t20-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50107160
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(2,3-dihydro-benz...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O4S/c1-16(30)28-8-10-29(11-9-28)23(31)7-3-17-2-6-22(19(14-17)24(25,26)27)34-18-4-5-20-21(15-18)33-13-12-32-20/h2-7,14-15H,8-13H2,1H3/b7-3+
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n/an/a 60n/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 (30-170)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098752
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-{3-chloro-4-[1-(2-me...)
Show SMILES COCCn1ccc2cc(Sc3ccc(\C=C\C(=O)N4CCN(CC4)C(C)=O)cc3Cl)ccc12
Show InChI InChI=1S/C26H28ClN3O3S/c1-19(31)28-11-13-30(14-12-28)26(32)8-4-20-3-7-25(23(27)17-20)34-22-5-6-24-21(18-22)9-10-29(24)15-16-33-2/h3-10,17-18H,11-16H2,1-2H3/b8-4+
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n/an/a 60n/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, range (30-60)

J Med Chem 44: 1202-10 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098757
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1-methy...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2cccc3ccn(C)c23)c(Cl)c1
Show InChI InChI=1S/C24H24ClN3O2S/c1-17(29)27-12-14-28(15-13-27)23(30)9-7-18-6-8-21(20(25)16-18)31-22-5-3-4-19-10-11-26(2)24(19)22/h3-11,16H,12-15H2,1-2H3/b9-7+
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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)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098770
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1
Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+
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n/an/a 80n/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 (30-150)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50160927
PNG
((6S,7aS)-6-(4''-Bromo-biphenyl-3-ylmethoxy)-2-(3,5...)
Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(Br)cc1
Show InChI InChI=1S/C25H19BrCl2N2O3/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay

Bioorg Med Chem Lett 15: 1161-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333919
PNG
((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...)
Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)o1 |r|
Show InChI InChI=1S/C27H22Cl2N2O8S/c1-40(36,37)22-5-4-17(39-22)12-20(27(34)35)30-25(32)23-19(28)10-16-13-31(8-6-18(16)24(23)29)26(33)15-3-2-14-7-9-38-21(14)11-15/h2-5,7,9-11,20H,6,8,12-13H2,1H3,(H,30,32)(H,34,35)/t20-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells in presence of 10% human serum

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(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
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range(30-300)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098755
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(3-dimet...)
Show SMILES CCn1cc(CN(C)C)c2cccc(Sc3ccc(\C=C\C(=O)N4CCN(CC4)C(C)=O)cc3Cl)c12
Show InChI InChI=1S/C28H33ClN4O2S/c1-5-31-19-22(18-30(3)4)23-7-6-8-26(28(23)31)36-25-11-9-21(17-24(25)29)10-12-27(35)33-15-13-32(14-16-33)20(2)34/h6-12,17,19H,5,13-16,18H2,1-4H3/b12-10+
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n/an/a 100n/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, range (100-110)

J Med Chem 44: 1202-10 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333901
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES CS(=O)(=O)n1cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c2ccccc12 |r|
Show InChI InChI=1S/C30H25Cl3N4O7S/c1-45(43,44)37-15-21(20-4-2-3-5-24(20)37)27(38)34-13-23(30(41)42)35-28(39)25-22(32)12-17-14-36(11-10-19(17)26(25)33)29(40)16-6-8-18(31)9-7-16/h2-9,12,15,23H,10-11,13-14H2,1H3,(H,34,38)(H,35,39)(H,41,42)/t23-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098769
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(5-ethox...)
Show SMILES CCOc1c(Sc2ccc(\C=C\C(=O)N3CCN(CC3)C(C)=O)cc2Cl)ccc2OCCOc12
Show InChI InChI=1S/C25H27ClN2O5S/c1-3-31-25-22(8-6-20-24(25)33-15-14-32-20)34-21-7-4-18(16-19(21)26)5-9-23(30)28-12-10-27(11-13-28)17(2)29/h4-9,16H,3,10-15H2,1-2H3/b9-5+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (90-100)

J Med Chem 44: 1202-10 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098768
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[4-(benzo[1,3]dioxol...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCOc3c2)c(Cl)c1
Show InChI InChI=1S/C22H21ClN2O4S/c1-15(26)24-8-10-25(11-9-24)22(27)7-3-16-2-6-21(18(23)12-16)30-17-4-5-19-20(13-17)29-14-28-19/h2-7,12-13H,8-11,14H2,1H3/b7-3+
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n/an/a 120n/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, range (110-140)

J Med Chem 44: 1202-10 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50098762
PNG
(1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1-ethyl...)
Show SMILES CCn1ccc2cccc(Sc3ccc(\C=C\C(=O)N4CCN(CC4)C(C)=O)cc3Cl)c12
Show InChI InChI=1S/C25H26ClN3O2S/c1-3-27-12-11-20-5-4-6-23(25(20)27)32-22-9-7-19(17-21(22)26)8-10-24(31)29-15-13-28(14-16-29)18(2)30/h4-12,17H,3,13-16H2,1-2H3/b10-8+
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1, range (120-140)

J Med Chem 44: 1202-10 (2001)


BindingDB Entry DOI: 10.7270/Q22Z14TP
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(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
Inhibition of LFA-1 mediated JY-8 cell adhesion to ICAM-1, range (100-600)

J Med Chem 44: 4393-403 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GZN
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2


(Homo sapiens (Human))		BDBM50333906
PNG
((S)-2-(5,7-dichloro-2-(4-chlorobenzoyl)-1,2,3,4-te...)
Show SMILES Cc1cccc2c(cn(c12)S(C)(=O)=O)C(=O)NC[C@H](NC(=O)c1c(Cl)cc2CN(CCc2c1Cl)C(=O)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C31H27Cl3N4O7S/c1-16-4-3-5-21-22(15-38(27(16)21)46(2,44)45)28(39)35-13-24(31(42)43)36-29(40)25-23(33)12-18-14-37(11-10-20(18)26(25)34)30(41)17-6-8-19(32)9-7-17/h3-9,12,15,24H,10-11,13-14H2,1-2H3,(H,35,39)(H,36,40)(H,42,43)/t24-/m0/s1
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Sunesis Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells

Bioorg Med Chem Lett 21: 307-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.014
BindingDB Entry DOI: 10.7270/Q2WW7HXM
More data for this
Ligand-Target Pair
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