BindingDB logo
myBDB logout

null

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

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 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 alpha-L/beta-2


(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
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
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