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Compile Data Set for Download or QSAR

Found 6 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-M/beta-2


(Homo sapiens (Human))
BDBM50462087
PNG
(CHEMBL4243248)
Show SMILES [Cl-].CC[n+]1c(\C=C\C=C\N2CCCc3ccccc23)sc2ccc3ccccc3c12
Show InChI InChI=1S/C26H25N2S/c1-2-28-25(29-24-17-16-20-10-3-5-13-22(20)26(24)28)15-7-8-18-27-19-9-12-21-11-4-6-14-23(21)27/h3-8,10-11,13-18H,2,9,12,19H2,1H3/q+1
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n/an/a 140n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of C3bi-AP binding to CR3 derived from human PMN


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM75309
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C21H21N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1
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n/an/a 330n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of C3bi-AP binding to CR3 derived from human PMN


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50462087
PNG
(CHEMBL4243248)
Show SMILES [Cl-].CC[n+]1c(\C=C\C=C\N2CCCc3ccccc23)sc2ccc3ccccc3c12
Show InChI InChI=1S/C26H25N2S/c1-2-28-25(29-24-17-16-20-10-3-5-13-22(20)26(24)28)15-7-8-18-27-19-9-12-21-11-4-6-14-23(21)27/h3-8,10-11,13-18H,2,9,12,19H2,1H3/q+1
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n/an/a 2.50E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at CR3 in carboxyfluorescein diacetate succiminidyl ester-labeled human PMN assessed as inhibition of TNF/PMA-stimulated adhesion...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM75309
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C21H21N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-15H,3-4H2,1-2H3/q+1
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n/an/a 2.50E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at CR3 in carboxyfluorescein diacetate succiminidyl ester-labeled human PMN assessed as inhibition of TNF/PMA-stimulated adhesion...


J Med Chem 61: 3253-3276 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00882
BindingDB Entry DOI: 10.7270/Q2MK6GJ9
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50055896
PNG
(3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...)
Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10|
Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)
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n/an/a 1.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Mac-1 interaction with ICAM


J Med Chem 40: 50-60 (1997)


Article DOI: 10.1021/jm960626t
BindingDB Entry DOI: 10.7270/Q2HD7TRV
More data for this
Ligand-Target Pair
Integrin alpha-M/beta-2


(Homo sapiens (Human))
BDBM50055896
PNG
(3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-isoxa...)
Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NCCC(O)=O)C1 |t:10|
Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of Mac-1 integrin (alphaM-beta2)


J Med Chem 40: 50-60 (1997)


Article DOI: 10.1021/jm960626t
BindingDB Entry DOI: 10.7270/Q2HD7TRV
More data for this
Ligand-Target Pair