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Compile Data Set for Download or QSAR

Found 23 hits of ec50 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))
BDBM50550227
PNG
(CHEMBL4755971)
Show SMILES OC(=O)CC1CC(=O)N1C(=O)NCc1ccccc1
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n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50550225
PNG
(CHEMBL4764510)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCCC(O)=O)CC1=O
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TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50505782
PNG
(CHEMBL4586928)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(=O)NCC(O)=O)CC1=O
Show InChI InChI=1S/C15H17N3O5/c1-9-4-2-3-5-11(9)17-15(23)18-10(7-13(18)20)6-12(19)16-8-14(21)22/h2-5,10H,6-8H2,1H3,(H,16,19)(H,17,23)(H,21,22)
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TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50505772
PNG
(CHEMBL4589062)
Show SMILES Cc1ccccc1NC(=O)N1C(CC(O)=O)CC1=O
Show InChI InChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-9(6-11(15)16)7-12(17)18/h2-5,9H,6-7H2,1H3,(H,14,19)(H,17,18)
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n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50550228
PNG
(CHEMBL4743438)
Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(=O)NCCC(O)=O |r|
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TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50505781
PNG
(CHEMBL4461668)
Show SMILES Cc1ccccc1NC(=O)N1[C@@H](CC1=O)C(O)=O |r|
Show InChI InChI=1S/C12H12N2O4/c1-7-4-2-3-5-8(7)13-12(18)14-9(11(16)17)6-10(14)15/h2-5,9H,6H2,1H3,(H,13,18)(H,16,17)/t9-/m0/s1
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TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50021394
PNG
(CHEMBL3289605)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2C(CC(=O)NCC(O)=O)CC2=O)cc1
Show InChI InChI=1S/C15H18N4O5.C2HF3O2/c16-7-9-1-3-10(4-2-9)18-15(24)19-11(6-13(19)21)5-12(20)17-8-14(22)23;3-2(4,5)1(6)7/h1-4,11H,5-8,16H2,(H,17,20)(H,18,24)(H,22,23);(H,6,7)
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n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50550224
PNG
(CHEMBL4797755)
Show SMILES OC(=O)C(F)(F)F.NCc1ccc(NC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
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n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50550226
PNG
(CHEMBL4782288)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2C(CC(=O)NCCC(O)=O)CC2=O)cc1
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n/an/an/an/a>5.00E+3n/an/an/an/a


TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50550222
PNG
(CHEMBL4777693)
Show SMILES OC(=O)C(F)(F)F.Nc1ccc(CNC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
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TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50021395
PNG
(CHEMBL3289606)
Show SMILES [O-]C(=O)C(F)(F)F.[NH3+]Cc1ccc(NC(=O)N2[C@@H](CC2=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C12H13N3O4.C2HF3O2/c13-6-7-1-3-8(4-2-7)14-12(19)15-9(11(17)18)5-10(15)16;3-2(4,5)1(6)7/h1-4,9H,5-6,13H2,(H,14,19)(H,17,18);(H,6,7)/t9-;/m0./s1
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TBA

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


Citation and Details

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


(Homo sapiens (Human))
BDBM50378538
PNG
(CHEMBL570523)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O
Show InChI InChI=1S/C18H15NO5S/c1-2-23-16(20)11-19-17(21)15(25-18(19)22)10-13-8-9-14(24-13)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3/b15-10-
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n/an/an/an/a 1.05E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378536
PNG
(CHEMBL572115)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C18H13Cl2NO5S/c1-2-25-16(22)9-21-17(23)15(27-18(21)24)8-11-4-6-14(26-11)12-5-3-10(19)7-13(12)20/h3-8H,2,9H2,1H3/b15-8-
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n/an/an/an/a 1.36E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378547
PNG
(CHEMBL569007)
Show SMILES Cc1cccc(NC(=O)CN2C(=S)S\C(=C/c3ccc(Cc4ccco4)o3)C2=O)c1
Show InChI InChI=1S/C22H18N2O4S2/c1-14-4-2-5-15(10-14)23-20(25)13-24-21(26)19(30-22(24)29)12-18-8-7-17(28-18)11-16-6-3-9-27-16/h2-10,12H,11,13H2,1H3,(H,23,25)/b19-12-
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n/an/an/an/a 1.80E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378540
PNG
(CHEMBL583892)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(C)cc2Br)C1=O
Show InChI InChI=1S/C19H16BrNO5S/c1-3-25-17(22)10-21-18(23)16(27-19(21)24)9-12-5-7-15(26-12)13-6-4-11(2)8-14(13)20/h4-9H,3,10H2,1-2H3/b16-9-
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n/an/an/an/a 1.86E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378546
PNG
(CHEMBL585139)
Show SMILES Cc1cccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(o3)-c3ccccc3)C2=O)c1
Show InChI InChI=1S/C23H18N2O4S/c1-15-6-5-9-17(12-15)24-21(26)14-25-22(27)20(30-23(25)28)13-18-10-11-19(29-18)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,26)/b20-13-
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n/an/an/an/a 2.23E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378537
PNG
(CHEMBL584543)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)N2CCCC2)C1=O
Show InChI InChI=1S/C16H18N2O5S/c1-2-22-14(19)10-18-15(20)12(24-16(18)21)9-11-5-6-13(23-11)17-7-3-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3/b12-9-
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n/an/an/an/a 2.32E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378544
PNG
(CHEMBL570061)
Show SMILES Clc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c(Cl)c1 |w:9.8|
Show InChI InChI=1S/C22H13Cl2NO4S/c23-14-6-8-16(17(24)10-14)19-9-7-15(29-19)11-20-21(27)25(22(28)30-20)12-18(26)13-4-2-1-3-5-13/h1-11H,12H2
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n/an/an/an/a 3.56E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378539
PNG
(CHEMBL570524)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O
Show InChI InChI=1S/C18H14BrNO5S/c1-2-24-16(21)10-20-17(22)15(26-18(20)23)9-13-7-8-14(25-13)11-3-5-12(19)6-4-11/h3-9H,2,10H2,1H3/b15-9-
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n/an/an/an/a 4.04E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378542
PNG
(CHEMBL569154)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(O)=O)C1=O
Show InChI InChI=1S/C19H14ClNO7S/c1-2-27-16(22)9-21-17(23)15(29-19(21)26)8-11-4-6-14(28-11)12-7-10(18(24)25)3-5-13(12)20/h3-8H,2,9H2,1H3,(H,24,25)/b15-8-
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n/an/an/an/a 4.09E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378543
PNG
(CHEMBL571876)
Show SMILES Clc1ccc(-c2ccc(\C=C3/SC(=O)N(C3=O)c3ccccc3)o2)c(Cl)c1
Show InChI InChI=1S/C20H11Cl2NO3S/c21-12-6-8-15(16(22)10-12)17-9-7-14(26-17)11-18-19(24)23(20(25)27-18)13-4-2-1-3-5-13/h1-11H/b18-11-
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n/an/an/an/a>5.00E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378545
PNG
(CHEMBL585545)
Show SMILES Cc1ccc(cc1)C(=O)CN1C(=O)SC(=Cc2ccc(o2)-c2ccc(Cl)cc2)C1=O |w:15.16|
Show InChI InChI=1S/C23H16ClNO4S/c1-14-2-4-15(5-3-14)19(26)13-25-22(27)21(30-23(25)28)12-18-10-11-20(29-18)16-6-8-17(24)9-7-16/h2-12H,13H2,1H3
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n/an/an/an/a>5.00E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50378541
PNG
(CHEMBL570321)
Show SMILES CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
Show InChI InChI=1S/C19H14ClNO7S/c1-2-27-16(22)9-21-17(23)15(29-19(21)26)8-11-4-6-14(28-11)10-3-5-13(20)12(7-10)18(24)25/h3-8H,2,9H2,1H3,(H,24,25)/b15-8-
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PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Department of Medicine and University of Miami

Curated by ChEMBL


Assay Description
Agonist activity at CD11b/CD18 expressed in K562 cells assessed as increase in cell adhesion to fibrinogen


Bioorg Med Chem Lett 19: 6902-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.077
BindingDB Entry DOI: 10.7270/Q2NS0VV0
More data for this
Ligand-Target Pair