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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha' and Ligand = 'BDBM50154472'   
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 (Human))
BDBM50154472
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCC(=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H21BrCl2N4O4S/c1-24(13-15-2-4-16(25)5-3-15)22(33)30(19-11-17(26)10-18(27)12-19)23-28-14-21(31(23)24)36(34,35)29-8-6-20(32)7-9-29/h2-5,10-12,14H,6-9,13H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 10n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154472
PNG
((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...)
Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCC(=O)CC1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H21BrCl2N4O4S/c1-24(13-15-2-4-16(25)5-3-15)22(33)30(19-11-17(26)10-18(27)12-19)23-28-14-21(31(23)24)36(34,35)29-8-6-20(32)7-9-29/h2-5,10-12,14H,6-9,13H2,1H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 300n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay


J Med Chem 47: 5356-66 (2004)


Article DOI: 10.1021/jm049657b
BindingDB Entry DOI: 10.7270/Q2B857MB
More data for this
Ligand-Target Pair