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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-L/beta-2' and Ligand = 'BDBM50333911'   
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 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
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 59n/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))
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
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/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