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BDBM50199039 4-[(5S,9R)-7-benzyl-3-(3,5-dichloro-phenyl)-1-methyl-2,4-dioxo-1,3,7-triaza-spiro[4.4]non-9-yl]-benzonitrile::CHEMBL538156

SMILES: CN1C(=O)N(C(=O)[C@]11CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=XYVGXDQZIPFLPB-RPLLCQBOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199039   
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/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50199039
PNG
(4-[(5S,9R)-7-benzyl-3-(3,5-dichloro-phenyl)-1-meth...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C27H22Cl2N4O2/c1-31-26(35)33(23-12-21(28)11-22(29)13-23)25(34)27(31)17-32(15-19-5-3-2-4-6-19)16-24(27)20-9-7-18(14-30)8-10-20/h2-13,24H,15-17H2,1H3/t24-,27+/m0/s1
PDB

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PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair