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BDBM50154502 Acetic acid 4-[(R)-5-(4-bromo-benzyl)-7-(3,5-dichloro-phenyl)-5-methyl-6-oxo-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonyl]-butyl ester::CHEMBL362120

SMILES: CC(=O)OCCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=IJHCQZSIRPACKX-RUZDIDTESA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50154502   
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 beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154502
PNG
(Acetic acid 4-[(R)-5-(4-bromo-benzyl)-7-(3,5-dichl...)
Show SMILES CC(=O)OCCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H24BrCl2N3O5S/c1-16(32)36-9-3-4-10-37(34,35)22-15-29-24-30(21-12-19(27)11-20(28)13-21)23(33)25(2,31(22)24)14-17-5-7-18(26)8-6-17/h5-8,11-13,15H,3-4,9-10,14H2,1-2H3/t25-/m1/s1
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PC cid
PC sid
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Patents

Article
PubMed
n/an/an/a 30n/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