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BDBM50154481 Acetic acid 3-[(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]-propyl ester::CHEMBL362735

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

InChI Key: InChIKey=CWQGLTCXNRXUQD-XMMPIXPASA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50154481   
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))
BDBM50154481
PNG
(Acetic acid 3-[(R)-5-(4-bromo-benzyl)-7-(3,5-dichl...)
Show SMILES CC(=O)OCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H22BrCl2N3O5S/c1-15(31)35-8-3-9-36(33,34)21-14-28-23-29(20-11-18(26)10-19(27)12-20)22(32)24(2,30(21)23)13-16-4-6-17(25)7-5-16/h4-7,10-12,14H,3,8-9,13H2,1-2H3/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 40n/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
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50154481
PNG
(Acetic acid 3-[(R)-5-(4-bromo-benzyl)-7-(3,5-dichl...)
Show SMILES CC(=O)OCCCS(=O)(=O)c1cnc2N(C(=O)[C@@](C)(Cc3ccc(Br)cc3)n12)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H22BrCl2N3O5S/c1-15(31)35-8-3-9-36(33,34)21-14-28-23-29(20-11-18(26)10-19(27)12-20)22(32)24(2,30(21)23)13-16-4-6-17(25)7-5-16/h4-7,10-12,14H,3,8-9,13H2,1-2H3/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