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Compile Data Set for Download or QSAR

Found 13 hits of ec50 for UniProtKB: P20701   
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/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50157359
PNG
(4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethy...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCCC(C1)c1nnn[nH]1
Show InChI InChI=1S/C26H26F3N7S/c1-16(2)19-7-3-4-8-22(19)37-23-10-9-17(12-20(23)26(27,28)29)21-13-24(31-15-30-21)36-11-5-6-18(14-36)25-32-34-35-33-25/h3-4,7-10,12-13,15-16,18H,5-6,11,14H2,1-2H3,(H,32,33,34,35)
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n/an/an/an/a 20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration to measure the adherence of LFA-1 expressing JY8 cells to immobilized ICAM-1 in cell-based adhesion assay


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
Integrin alpha-L/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50157352
PNG
(1-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...)
Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCCC(C1)C(O)=O
Show InChI InChI=1S/C26H26F3N3O2S/c1-16(2)19-7-3-4-8-22(19)35-23-10-9-17(12-20(23)26(27,28)29)21-13-24(31-15-30-21)32-11-5-6-18(14-32)25(33)34/h3-4,7-10,12-13,15-16,18H,5-6,11,14H2,1-2H3,(H,33,34)
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n/an/an/an/a 90n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration to measure the adherence of LFA-1 expressing JY8 cells to immobilized ICAM-1 in cell-based adhesion assay


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
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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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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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))
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))
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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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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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))
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))
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))
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-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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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
PDB

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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